SCHEMBL3762990

SCHEMBL3762990

CC(=O)c1c(Cl)nc2sccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
DYRK1A Q13627 1/20 0.54
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SSTR4 P31391 1/20 0.44
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2338659 0.81 MAPK1 (0.65) KMT2ACYP1A2MAPK1ALOX15TDP1
SCHEMBL3755525 0.76 MAPT (0.53) ALDH1A1TSHRDYRK1AHPGDKDM4E
SCHEMBL3755520 0.76 MAPT (0.53) ALDH1A1TSHRDYRK1AHPGDKDM4E
SCHEMBL5654167 0.74 DYRK1A (0.56) ALDH1A1TSHRDYRK1AHPGDKDM4E
SCHEMBL12203138 0.74 DYRK1A (0.51) ALDH1A1TSHRDYRK1AHPGDKDM4E
SCHEMBL1422419 0.71 DYRK1A (0.53) ALDH1A1TSHRDYRK1AHPGDSMN1; SMN2
SCHEMBL14447519 0.71 MET (0.51) DYRK1ACYP1A2
SCHEMBL3757641 0.70 DYRK1A (1.00) ALDH1A1TSHRDYRK1AHPGDKDM4E
SCHEMBL269695 0.70 MAPK1 (0.65) CYP1A2MAPK1ALOX15TDP1
SCHEMBL12870000 0.70 DYRK1A (0.51) ALDH1A1TSHRDYRK1AHPGDKDM4E

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
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US 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 (2 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 ALDH1A1 1481/4885TSHR 724/4885DYRK1A 934/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 ALDH1A1 982/4885TSHR 625/4885DYRK1A 1626/4885

“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.