SCHEMBL185746

SCHEMBL185746

NCc1ccc(Nc2ccc(Cl)cc2C(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.40
TGFBR1 P36897 2/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
POLB P06746 1/20 0.33
AGPAT2 O15120 4/20 0.33
EHMT2 Q96KQ7 1/20 0.31
FERMT2 Q96AC1 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
BACE1 P56817 1/20 0.30
STK17A Q9UEE5 1/20 0.30

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
SCHEMBL185800 0.82 MAPK1 (0.42) DHODHMEN1KMT2AUSP2PABPC1
SCHEMBL185410 0.80 RAB9A (0.39) DHODHGAAMAPTSTK17A
SCHEMBL184937 0.79 F11 (0.41) F11DHODHMEN1KMT2AUSP2
SCHEMBL19418561 0.78 CNR2 (0.35) TGFBR1DHODHMEN1KMT2AUSP2
SCHEMBL185996 0.76 TDO2 (0.41) MEN1KMT2APOLBGAASTK17A
Trifluoroacetic Acid SCHEMBL186252 0.73 DHODH (0.40) F11DHODHMEN1KMT2AUSP2
Trifluoroacetic Acid SCHEMBL2811073 0.73 RAB9A (0.42) DHODHMEN1KMT2AUSP2PABPC1
SCHEMBL185862 0.72 DHODH (0.42) DHODHMEN1KMT2AGAAMAPT
SCHEMBL185188 0.72 KMT2A (0.39) MEN1KMT2AGAAMAPTSTK17A
SCHEMBL18202751 0.72 LOXL2 (0.32)

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 12 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
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
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
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 (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 F11 224/4885TGFBR1 1352/4885DHODH 2925/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 F11 224/4885TGFBR1 1352/4885DHODH 2925/4885

“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.