SCHEMBL16675835

SCHEMBL16675835

COc1ccc(-c2cncc(CO)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.78
CYP11B2 P19099 11/20 0.78
MAP4K4 O95819 1/20 0.55
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
PDE10A Q9Y233 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ITK Q08881 1/20 0.47
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP2A6 P11509 1/20 0.45

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
SCHEMBL7393685 0.83 CYP11B1 (0.56) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL25366032 0.83 CYP11B1 (0.60) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL9413191 0.83 CYP11B1 (0.56) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL30516647 0.83 CYP11B1 (0.60) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL30646825 0.81 CYP11B1 (0.80) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL29087697 0.81 CYP11B1 (0.80) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL29087719 0.80 CYP11B1 (0.81) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL30646799 0.80 CYP11B1 (0.81) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL4592299 0.80 PRMT6 (0.61) CYP11B1CYP11B2
SCHEMBL21960161 0.78 CYP11B1 (0.73) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4

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 CYP11B1 1166/4885CYP11B2 1370/4885MAP4K4 385/4885

“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.