SCHEMBL618208

SCHEMBL618208

c1cc(Nc2cnccn2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KDR P35968 3/20 0.45
PIK3C3 Q8NEB9 2/20 0.43
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
MKNK1 Q9BUB5 3/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3628141 0.91 MEN1 (0.47) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL4630887 0.85 GSK3A (0.53) GSK3ACDK9CDK5TAOK1CLK4
Hydrochloric Acid SCHEMBL7857018 0.83 GSK3A (0.51) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL5787755 0.82 KDR (0.47) KDRALDH1A1HPGDKMT2AMEN1
SCHEMBL31355480 0.78 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL31355479 0.78 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL3948701 0.78 KMT2A (0.57) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL30206142 0.78 KMT2A (0.57) KDRALDH1A1HPGDKMT2AMEN1
SCHEMBL618299 0.78 KMT2A (0.57) KDRALDH1A1HPGDKMT2AMEN1
SCHEMBL22971333 0.75 KDR (0.44) KDRALDH1A1HPGDKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210980-B1 PROCESS FOR MANUFACTURING 5-[[4-[[MORPHOLIN-2-YL]METHYLAMINO]-5-(TRIFLUOROMETHYL)- 2-PYRIDYL]AMINO]PYRAZINE-2-CARBONITRILE CANCER RESEARCH TECH LTD (GB) 2024-04-03 EP disclosed
US-11787792-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20210276990-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-09-09 US disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 US disclosed
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy KARUS THERAPEUTICS LIMITED (GB) 2019-09-10 US disclosed
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy KARUS THERAPEUTICS LIMITED (GB) 2019-09-10 US disclosed
CN-106279142-B 5- [[4- [[morpholine -2-yl] methylamino]-5- (trifluoromethyl)-2- pyridyl group] amino] pyrazine-2- nitrile and its treatment use 癌症研究技术有限公司 2019-05-03 CN disclosed
US-10259806-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-04-16 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
EP-2197874-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-06-23 EP disclosed
EP-2197874-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-06-23 EP disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210276990-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CHEK1, CHEK2, BUB1B GSK3A 163/4885CDK9 79/4885CDK5 65/4885
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy HDAC1, HDAC11, HDAC7 GSK3A 306/4885CDK9 1077/4885CDK5 1977/4885
US-11787792-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-carbonitrile and therapeutic uses thereof CHEK1, CHEK2, BUB1B GSK3A 163/4885CDK9 79/4885CDK5 65/4885
US-10259806-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CHEK1, CHEK2, CDK1 GSK3A 155/4885CDK9 78/4885CDK5 58/4885
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 GSK3A 3557/4885CDK9 1543/4885CDK5 326/4885
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B GSK3A 243/4885CDK9 130/4885CDK5 45/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 GSK3A 515/4885CDK9 716/4885CDK5 923/4885
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS MCL1, HDAC1, MYC GSK3A 130/4885CDK9 620/4885CDK5 1056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.