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Sugi Predict / Compounds / SCHEMBL10065634

SCHEMBL10065634

SCHEMBL10065634

CC(C)(C)OC(=O)NCc1ncc(Nc2ccc(Cl)cc2C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ACVR1B P36896 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ MAPKAPK2 P49137 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK3 P27361 1/20 0.37

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
SCHEMBL10070750 0.88 EPHX2 (0.42) CACNA1HCACNA1BCACNA1CEGFR
SCHEMBL15460577 0.87 ACVR1B (0.39) ACVR1BTGFBR1ACVRL1TP53MAPT
SCHEMBL2806482 0.86 RAB9A (0.44) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL186318 0.80 CNR2 (0.37) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL14865374 0.78 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL185709 0.77 STK17A (0.38) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL13160140 0.77 CNR2 (0.42) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL16404427 0.77 DYRK1A (0.39) RAB9AEGFRKDM4ENPC1
Hydrochloric Acid SCHEMBL2806736 0.76 STK17A (0.37) RAB9ACYP1A2CYP2D6CYP2C19TP53
Hydrochloric Acid SCHEMBL15456151 0.76 STK17A (0.37) RAB9ACYP1A2CYP2D6CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901127-B2 Pyridazin derivatives as antagonists of the bradykinin B1 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-02 — — US disclosed
US-8901127-B2 Pyridazin derivatives as antagonists of the bradykinin B1 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-02 — — US disclosed
EP-2606043-B1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2014-07-09 — — EP disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 — — US disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 — — US disclosed
WO-2012022794-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — 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-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HRH2 RAB9A 4296/4885CYP1A2 508/4885CYP2D6 549/4885

“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.