SCHEMBL16675754

SCHEMBL16675754

COc1ncc(-c2cccc(CO)c2)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
CTSL P07711 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.47
FAAH O00519 1/20 0.45
CES1 P23141 1/20 0.45
FYN P06241 6/20 0.44
PPARD Q03181 1/20 0.43
P2RX3 P56373 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
CDK8 P49336 1/20 0.42
PRKCI P41743 1/20 0.42
AXL P30530 1/20 0.41
MERTK Q12866 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
SCHEMBL4619482 0.89 FYN (0.57) QPCTQPCTLCTSLNPSR1KDM4E
SCHEMBL3767625 0.82 QPCT (0.54) QPCTQPCTLNPSR1KDM4EMEN1
SCHEMBL15349707 0.81 PRKCI (0.51) FYNCDK8PRKCI
SCHEMBL978966 0.80 QPCT (0.53) QPCTQPCTLNPSR1KDM4EMEN1
SCHEMBL31416605 0.80 QPCT (0.50) QPCTQPCTLCTSLNPSR1KDM4E
SCHEMBL3660129 0.77 DYRK1A (0.57) QPCTQPCTLNPSR1KDM4EMEN1
SCHEMBL16068090 0.77 CYP1A2 (0.52) QPCTQPCTLNPSR1KDM4EMEN1
SCHEMBL2759587 0.77 QPCT (0.52) QPCTQPCTLCTSLNPSR1KDM4E
SCHEMBL27817316 0.76 CHRNB4 (0.45) FYNCDK8PRKCIAXLMERTK
SCHEMBL1639532 0.76 QPCT (0.50) QPCTQPCTLCTSLNPSR1KDM4E

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-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 QPCT 3528/4885QPCTL 3630/4885CTSL 879/4885

“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.