SCHEMBL5269299

SCHEMBL5269299

COC(=O)c1cc(-c2ccnc(SC)n2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.54
DYRK3 O43781 2/20 0.54
DYRK2 Q92630 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.37
PTGS2 P35354 1/20 0.37
DYRK1B Q9Y463 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL5268841 0.82 SMN1; SMN2 (0.39) DYRK1ASMN1; SMN2PTGS2MEN1NPC1
SCHEMBL5265460 0.80 JMJD6 (0.44) SMN1; SMN2PTGS2MEN1KMT2ASMO
SCHEMBL2919388 0.79 SMN1; SMN2 (0.39) SMN1; SMN2PTGS2MEN1KMT2ASMO
SCHEMBL2918833 0.76 JMJD6 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL2918014 0.76 RPA1 (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2917625 0.74 CA9 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2910909 0.74 JMJD6 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL2910360 0.73 RPA1 (0.47) SMN1; SMN2MEN1KMT2ARPA1
SCHEMBL2918273 0.73 CA9 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL2909802 0.73 RPA1 (0.49) SMN1; SMN2MEN1KMT2ARPA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US claimed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US claimed
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US disclosed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 DYRK1A 4483/4885DYRK3 3926/4885DYRK2 3777/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 DYRK1A 4852/4885DYRK3 4787/4885DYRK2 4715/4885
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 DYRK1A 681/4885DYRK3 849/4885DYRK2 632/4885

“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.