SCHEMBL672513

SCHEMBL672513

COc1ccc(Nc2cnc(C#N)c(Cl)c2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.40
DHODH Q02127 2/20 0.39
PIK3CA P42336 1/20 0.39
CHEK1 O14757 5/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
AR P10275 4/20 0.38
PGR P06401 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPK10 P53779 2/20 0.37
MAPK8 P45983 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
EGFR P00533 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
SCHEMBL186054 0.85 AR (0.39) CHEK1ARPGR
SCHEMBL16404401 0.82 SRC (0.40) SRCCHEK1ABL1BCRSMN1; SMN2
SCHEMBL10071211 0.81 CHEK1 (0.48) PIK3CACHEK1
SCHEMBL672515 0.80 DHODH (0.39) DHODHPIK3CASMN1; SMN2TP53MAPK10
SCHEMBL3725903 0.77 SLC22A12 (0.45) ARPGRSMN1; SMN2MAPK10MAPK8
SCHEMBL674094 0.76 ACP1 (0.49) ARPGR
SCHEMBL11977289 0.75 SMN1; SMN2 (0.47) SMN1; SMN2TP53NPC1ALDH1A1LMNA
SCHEMBL672412 0.74 DHODH (0.44) DHODHPIK3CAMAPK10EGFR
SCHEMBL673038 0.72 AR (0.49) ARPGREGFR
SCHEMBL674869 0.72 DHODH (0.40) DHODHPIK3CAMAPK10EGFR

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 SRC 2753/4885DHODH 529/4885PIK3CA 3267/4885

“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.