SCHEMBL802734

SCHEMBL802734

Cc1cc(Nc2nc(-c3ccccc3C)cc(N3CCCCC3)n2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.50
AURKB Q96GD4 7/20 0.50
RIPK1 Q13546 1/20 0.50
IGF1R P08069 2/20 0.46
NTRK1 P04629 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
SCHEMBL10267600 0.87 AURKA (0.47) AURKAAURKBRIPK1
SCHEMBL802120 0.81 KDM4E (0.42)
SCHEMBL802732 0.78 GSK3B (0.56) AURKAAURKBIGF1R
SCHEMBL802074 0.78 CYP1A2 (0.50) AURKAAURKBRIPK1NTRK1
SCHEMBL802122 0.76 AURKA (0.49) AURKAAURKBIGF1R
SCHEMBL3793220 0.72 AURKA (0.64) AURKAAURKBNTRK1
SCHEMBL802841 0.72 CDK2 (0.41)
SCHEMBL802717 0.71 CYP1A2 (0.50) AURKA
SCHEMBL802067 0.71 AURKA (0.38) AURKAAURKBIGF1R
SCHEMBL3156916 0.70 AURKA (0.59) AURKAAURKBRIPK1NTRK1

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 3 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
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A AURKA 7/4885AURKB 12/4885RIPK1 191/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 AURKA 8/4885AURKB 19/4885RIPK1 334/4885

“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.