SCHEMBL618299

SCHEMBL618299

c1ccc(Nc2cnccn2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK10 P53779 1/20 0.57
GFER P55789 1/20 0.57
KDR P35968 7/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL30206142 1.00 KMT2A (0.57) KMT2AMEN1MAPK10GFERKDR
SCHEMBL3628141 0.89 MEN1 (0.47) KMT2AMEN1MAPK10GFERKDR
SCHEMBL26910995 0.85 KMT2A (0.64) KMT2AMEN1MAPK10GFERKDR
SCHEMBL5787755 0.84 KDR (0.47) KMT2AMEN1KDRHPGDALDH1A1
SCHEMBL221242 0.84 KMT2A (0.76) KMT2AMEN1MAPK10GFERKDR
SCHEMBL29391624 0.84 KMT2A (0.76) KMT2AMEN1MAPK10GFERKDR
SCHEMBL4902982 0.83 SMN1; SMN2 (0.52) KMT2AMEN1MAPK10GFERKDR
SCHEMBL11133606 0.82 KMT2A (0.73) KMT2AMEN1MAPK10GFERKDR
SCHEMBL6574416 0.82 KMT2A (0.73) KMT2AMEN1MAPK10GFERKDR
SCHEMBL6175584 0.82 KMT2A (0.73) KMT2AMEN1MAPK10GFERKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150994-A1 METHODS FOR SYNTHESIS OF CHK1 INHIBITORS SIERRA ONCOLOGY, INC. 2023-05-18 US disclosed
US-20230150994-A1 METHODS FOR SYNTHESIS OF CHK1 INHIBITORS SIERRA ONCOLOGY, INC. 2023-05-18 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-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-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 US disclosed
EP-3463348-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS Karus Therapeutics Ltd (GB) 2019-04-10 EP disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP 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-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 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-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-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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 (5 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-20230150994-A1 METHODS FOR SYNTHESIS OF CHK1 INHIBITORS CHEK1, CHEK2, CDC7 KMT2A 2137/4885MEN1 1192/4885MAPK10 1704/4885
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 KMT2A 538/4885MEN1 3865/4885MAPK10 1628/4885
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 KMT2A 841/4885MEN1 2356/4885MAPK10 997/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 KMT2A 46/4885MEN1 3448/4885MAPK10 761/4885
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS MCL1, HDAC1, MYC KMT2A 188/4885MEN1 1396/4885MAPK10 83/4885

“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.