SCHEMBL801863

SCHEMBL801863

Cc1nc(Nc2cc(-c3ccccc3C)nc3cnccc23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 16/20 0.49
LATS2 Q9NRM7 8/20 0.49
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 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
SCHEMBL12620487 0.88 ACP1 (0.47) LATS1LATS2ALDH1A1SMN1; SMN2
SCHEMBL801861 0.88 GSK3A (0.50) NPC1ALDH1A1RAB9ASMN1; SMN2GSK3A
SCHEMBL801656 0.83 GSK3B (0.58) LATS1LATS2GSK3AGSK3B
SCHEMBL801658 0.81 GRM4 (0.48) LATS1LATS2ALDH1A1SMN1; SMN2GSK3A
SCHEMBL12620467 0.75 ACP1 (0.60) ALDH1A1GSK3AGSK3B
SCHEMBL802833 0.73 ACP1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2GSK3A
SCHEMBL12619895 0.71 GSK3B (0.54) LATS1LATS2GSK3AGSK3B
SCHEMBL801850 0.71 CYP1A2 (0.55) LATS1LATS2ALDH1A1GSK3AGSK3B
SCHEMBL801844 0.70 GSK3A (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2GSK3A
SCHEMBL802026 0.69 GSK3B (0.76) GSK3AGSK3B

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 LATS1 1086/4885LATS2 1373/4885NPC1 2844/4885

“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.