SCHEMBL801658

SCHEMBL801658

Cc1ccccc1-c1cc(Nc2n[nH]c3ccccc23)c2ccncc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.48
LATS1 O95835 11/20 0.47
LATS2 Q9NRM7 8/20 0.47
KDR P35968 1/20 0.42
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL805529 0.86 ACP1 (0.50) GRM4LATS1LATS2KDRKDM4E
SCHEMBL802049 0.83 GRM4 (0.53) GRM4KDRPIM1PIM2KDM4E
SCHEMBL801656 0.81 GSK3B (0.58) LATS1LATS2GSK3AGSK3B
SCHEMBL802274 0.81 PIK3CA (0.42) GRM4PIK3CA
SCHEMBL801863 0.81 LATS1 (0.49) LATS1LATS2GSK3AGSK3BALDH1A1
SCHEMBL802671 0.80 FADS1 (0.41) GRM4ALDH1A1CYP1A2SMN1; SMN2PIK3CA
SCHEMBL802337 0.77 GRM4 (0.45) GRM4GSK3BTGFBR1KDM4EALDH1A1
SCHEMBL802329 0.76 VCP (0.38) GRM4KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL802674 0.75 GSK3A (0.44) GRM4GSK3AGSK3BALDH1A1CYP1A2
SCHEMBL801648 0.75 SYK (0.44) GRM4KDRALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 (1 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GRM4 3726/4885LATS1 1086/4885LATS2 1373/4885

“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.