SCHEMBL12347396

SCHEMBL12347396

Cc1nccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.60
PRKCI P41743 4/20 0.58
ROCK1 Q13464 3/20 0.53
JAK2 O60674 2/20 0.53
PRKACA P17612 2/20 0.53
JAK3 P52333 2/20 0.53
PRKCQ Q04759 2/20 0.53
ROCK2 O75116 1/20 0.53
PRKCA P17252 1/20 0.53
FLT3 P36888 1/20 0.53
GSK3B P49841 1/20 0.53
PRKCD Q05655 1/20 0.53
AURKB Q96GD4 3/20 0.53
DYRK1A Q13627 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL12127819 0.81 PRKCI (0.63) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL2238760 0.81 BRAF (0.61) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL12354979 0.81 PRKCI (0.58) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL3255183 0.81 PRKCI (0.58) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL1838740 0.81 CDK5 (0.64) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL22954461 0.80 DYRK1A (0.45) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL3244159 0.80 BRAF (0.60) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL12257975 0.79 PRKCI (0.56) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL16113151 0.79 PRKCI (0.59) BRAFPRKCIROCK1JAK2PRKACA
SCHEMBL2240671 0.78 AURKB (0.71) PRKCIROCK1JAK2PRKACAJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 BRAF 305/4885PRKCI 387/4885ROCK1 759/4885

“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.