SCHEMBL186071

SCHEMBL186071

NCc1ccc(Nc2cc(F)ccc2C(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.38
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STK17A Q9UEE5 2/20 0.35
STK17B O94768 1/20 0.35
MAPK10 P53779 3/20 0.35
CHEK1 O14757 2/20 0.34
DHFR P00374 1/20 0.34
AURKA O14965 1/20 0.34
MAPK3 P27361 2/20 0.33
MAPK1 P28482 2/20 0.33
CNR1 P21554 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
SCHEMBL185079 0.89 IDO1 (0.36) ACP1MEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2805866 0.88 IDO1 (0.38) ACP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL185313 0.83 ALDH1A1 (0.43) ACP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL19418545 0.82 SOS1 (0.32) STK17ASTK17BDHFRCNR1CNR2
SCHEMBL186705 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1CHEK1MAPK1
SCHEMBL186126 0.79 DHODH (0.40) STK17ACHEK1MAPK1KITFLT3
SCHEMBL185410 0.79 RAB9A (0.39) CYP1A2CYP2D6CYP2C19ALOX15HSD17B10
SCHEMBL186066 0.79 OPRM1 (0.37) STK17ASTK17BMAPK10CHEK1MAPK3
SCHEMBL185996 0.78 TDO2 (0.41) MEN1KMT2AALDH1A1ALOX15STK17A
SCHEMBL185788 0.76 PIK3CA (0.43) MEN1KMT2AMAPK10CNR1CNR2

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-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
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
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 (2 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 ACP1 2455/4885MEN1 314/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ACP1 2455/4885MEN1 314/4885CYP1A2 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.