SCHEMBL185709

SCHEMBL185709

NCc1ncc(Nc2ccc(Cl)cc2C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
STK17B O94768 1/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
CNR2 P34972 5/20 0.35
CNR1 P21554 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL2806736 0.99 STK17A (0.37) STK17ARAB9ACYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL15456151 0.99 STK17A (0.37) STK17ARAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL185820 0.89 RAB9A (0.39) STK17ARAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL185485 0.89 CNR2 (0.37) STK17ASTK17BIDO1CNR2CNR1
SCHEMBL186317 0.87 DHODH (0.38) STK17ARAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186478 0.85 OPRM1 (0.36) STK17ASTK17BCNR2CNR1EGFR
SCHEMBL185004 0.84 EGFR (0.42) CYP1A2CYP2D6CYP2C19TP53MAPT
SCHEMBL674869 0.82 DHODH (0.40) CNR2CNR1EGFRMAPK10
SCHEMBL2806482 0.82 RAB9A (0.44) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL185650 0.81 STK17A (0.38) STK17ARAB9ACYP1A2CYP2D6CYP2C19

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 21 patents — showing the first 20. 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
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
EP-2606043-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
WO-2012022794-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022794-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (3 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 STK17A 4195/4885RAB9A 347/4885CYP1A2 892/4885
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HRH2 STK17A 2248/4885RAB9A 4296/4885CYP1A2 508/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 STK17A 4195/4885RAB9A 347/4885CYP1A2 892/4885

“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.