SCHEMBL2238760

SCHEMBL2238760

CSc1nccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.61
PRKCI P41743 3/20 0.55
JAK2 O60674 2/20 0.54
PRKACA P17612 2/20 0.54
JAK3 P52333 2/20 0.54
PRKCQ Q04759 2/20 0.54
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 1/20 0.54
PRKCA P17252 1/20 0.54
FLT3 P36888 1/20 0.54
GSK3B P49841 1/20 0.54
PRKCD Q05655 1/20 0.54
CDK9 P50750 2/20 0.53
CDK5 Q00535 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCNA1 P78396 1/20 0.53
CDK5R1 Q15078 1/20 0.53
AURKB Q96GD4 3/20 0.50

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
SCHEMBL12347396 0.81 BRAF (0.60) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL12572868 0.81 DYRK1A (0.65) JAK2PRKACAJAK3FLT3GSK3B
SCHEMBL12127819 0.79 PRKCI (0.63) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL12354979 0.78 PRKCI (0.58) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL1838740 0.78 CDK5 (0.64) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL3255183 0.78 PRKCI (0.58) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL3244159 0.77 BRAF (0.60) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL16113151 0.76 PRKCI (0.59) BRAFPRKCIJAK2PRKACAJAK3
SCHEMBL2240671 0.76 AURKB (0.71) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL15232070 0.75 CCNA2 (0.46) BRAFJAK2JAK3CDK9CDK5

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-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO 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 387/4885JAK2 125/4885

“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.