SCHEMBL674869

SCHEMBL674869

COc1ccc(Nc2cnc(CN)c(F)c2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.40
PIK3CA P42336 1/20 0.40
MAPK10 P53779 4/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.37
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
DHFR P00374 1/20 0.36
CRHR1 P34998 2/20 0.36
ULK1 O75385 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAK O14976 1/20 0.36

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
SCHEMBL672515 0.88 DHODH (0.39) DHODHPIK3CAMAPK10EGFRDHFR
SCHEMBL185485 0.86 CNR2 (0.37) MAPK10CNR1CNR2DHFRULK1
SCHEMBL185709 0.82 STK17A (0.38) MAPK10CNR1CNR2EGFR
SCHEMBL672412 0.82 DHODH (0.44) DHODHPIK3CAMAPK10EGFRERBB3
SCHEMBL186478 0.82 OPRM1 (0.36) DHODHMAPK10CNR1CNR2EGFR
SCHEMBL185788 0.81 PIK3CA (0.43) DHODHPIK3CAMAPK10CNR1CNR2
Hydrochloric Acid SCHEMBL15456151 0.81 STK17A (0.37) MAPK10CNR1CNR2EGFR
Hydrochloric Acid SCHEMBL2806736 0.81 STK17A (0.37) MAPK10CNR1CNR2EGFR
SCHEMBL11906399 0.81 DHODH (0.45) DHODHPIK3CAMAPK10CNR1CNR2
SCHEMBL185004 0.81 EGFR (0.42) DHODHEPHX2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS 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-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 DHODH 529/4885PIK3CA 3267/4885MAPK10 4384/4885

“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.