SCHEMBL2530102

SCHEMBL2530102

c1cc(-c2cn3nccc3s2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
EGFR P00533 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.35
CDC7 O00311 4/20 0.35
DBF4 Q9UBU7 4/20 0.35
ROCK1 Q13464 3/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL29759554 0.76 DYRK1A (0.43) HDAC6FYNDYRK1A
SCHEMBL24578878 0.69 KDR (0.38) PRKCICDC7DBF4KDM4ECYP1A2
SCHEMBL5047995 0.68
SCHEMBL24853024 0.68
SCHEMBL7751921 0.65 MAPT (0.56) PRKCIMAPTLMNANOTUMCDC7
SCHEMBL8406452 0.64 HDAC3 (0.53) PRKCIMAPTLMNANOTUMCDC7
SCHEMBL8724864 0.64 HDAC3 (0.53) PRKCIMAPTLMNANOTUMCDC7
SCHEMBL9199257 0.63 NOTUM (0.64) PRKCIMAPTLMNANOTUMCDC7
SCHEMBL5786570 0.62 NOTUM (0.81) PRKCIMAPTLMNANOTUMKDM4E
SCHEMBL25415736 0.62 MAPT (0.44) MAPTLMNANOTUMKDM4EKDR

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-8524707-B2 Bicyclic pyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-03 US disclosed
US-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-10-20 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-20110257165-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K19, MAP4K3, MAP3K15 PRKCI 70/4885EGFR 831/4885MAPT 2667/4885

“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.