SCHEMBL16675833

SCHEMBL16675833

OCc1cncc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
CYP11B2 P19099 4/20 0.49
CYP11B1 P15538 2/20 0.49
PIK3CD O00329 1/20 0.44
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
S1PR1 P21453 1/20 0.40
ERN1 O75460 1/20 0.37
PDK1 Q15118 1/20 0.37
DYRK1A Q13627 1/20 0.36
NOTUM Q6P988 1/20 0.36
CDK8 P49336 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL26614623 0.83 CYP2A6 (0.50) CYP2A6CYP11B2CYP11B1PIK3CDPRMT5
SCHEMBL4591262 0.81 CYP11B1 (0.53) CYP2A6CYP11B2CYP11B1PRMT5WDR77
SCHEMBL16675786 0.80 PRKCI (0.53) CYP2A6PIK3CDRECQLNPC1POLB
SCHEMBL4430423 0.78 CYP11B2 (0.54) CYP2A6CYP11B2CYP11B1PRMT5WDR77
SCHEMBL15349928 0.74 NPC1 (0.48) CYP2A6CYP11B2CYP11B1PIK3CDNPC1
SCHEMBL1582822 0.74 CYP11B1 (0.59) CYP2A6CYP11B2CYP11B1PRMT5WDR77
SCHEMBL844549 0.74 MKNK1 (0.68) CYP2A6CYP11B2CYP11B1MKNK1MKNK2
SCHEMBL11233883 0.74 CYP2A6 (0.55) CYP2A6CYP11B2CYP11B1PIK3CDPRMT5
SCHEMBL4592232 0.73 CYP11B1 (0.49) CYP2A6CYP11B2CYP11B1PRMT5WDR77
SCHEMBL1662273 0.73 PIK3CD (0.73) CYP2A6PIK3CDNPC1POLBRAB9A

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 CYP2A6 1050/4885CYP11B2 1370/4885CYP11B1 1166/4885

“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.