SCHEMBL2222925

SCHEMBL2222925

CCOc1cnc(-c2cccc(O)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.53
HSD17B1 P14061 5/20 0.50
HSD17B2 P37059 5/20 0.50
HSD17B13 Q7Z5P4 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
CSNK1D P48730 1/20 0.43
METAP2 P50579 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK10 P53779 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NLRP3 Q96P20 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL8396434 0.84 NR5A1 (0.50) HSD17B1HSD17B2
SCHEMBL21228226 0.83 DYRK1A (0.54) FYNHSD17B1HSD17B2HSD17B13METAP2
SCHEMBL29914718 0.83 DYRK1A (0.54) FYNHSD17B1HSD17B2HSD17B13METAP2
SCHEMBL13449241 0.82 S1PR1 (0.47) RXRARXRBMETAP2CYP2C9FGFR3
SCHEMBL22309842 0.81 S1PR1 (0.52) FYNRXRARXRBFGFR3KDR
SCHEMBL158829 0.81 CACNA2D1 (0.46) RXRARXRBCYP2C9GAA
SCHEMBL9551295 0.80 NPC1 (0.57) LMNA
SCHEMBL20772850 0.79 HSD17B1 (0.45) HSD17B1HSD17B2HSD17B13
SCHEMBL24081446 0.78 RXRA (0.38) RXRARXRBFGFR3KDR
SCHEMBL27773721 0.78 CYP3A4 (0.58) FYNHSD17B1HSD17B2HSD17B13METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 FYN 55/4885HSD17B1 3543/4885HSD17B2 3890/4885

“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.