SCHEMBL186317

SCHEMBL186317

Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)cnc1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
AGPAT2 O15120 1/20 0.35
CNR2 P34972 4/20 0.35
STK17A Q9UEE5 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL185953 0.88 DHODH (0.39) DHODHCNR2STK17ACNR1MAPK10
SCHEMBL185820 0.88 RAB9A (0.39) RAB9ATP53MAPTSMN1; SMN2CYP1A2
SCHEMBL185709 0.87 STK17A (0.38) RAB9ATP53MAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL15456151 0.86 STK17A (0.37) RAB9ATP53MAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL2806736 0.86 STK17A (0.37) RAB9ATP53MAPTSMN1; SMN2CYP1A2
SCHEMBL185669 0.84 DHODH (0.44) DHODHTP53MAPTSMN1; SMN2CYP1A2
SCHEMBL185410 0.79 RAB9A (0.39) DHODHRAB9ATP53MAPTSMN1; SMN2
SCHEMBL185650 0.78 STK17A (0.38) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL672515 0.76 DHODH (0.39) DHODHTP53SMN1; SMN2CRHR1MAPK10
SCHEMBL185485 0.75 CNR2 (0.37) CNR2STK17ACNR1MAPK10

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 DHODH 2925/4885RAB9A 347/4885TP53 2836/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885RAB9A 347/4885TP53 2836/4885

“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.