SCHEMBL2809567

SCHEMBL2809567

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1)c1ccc2[nH]cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 3/20 0.35
MAPT P10636 1/20 0.35
CTSL P07711 1/20 0.34
RAF1 P04049 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
ARAF P10398 1/20 0.34
BRAF P15056 1/20 0.34
FGFR2 P21802 1/20 0.34
EPHA2 P29317 1/20 0.34
DDR1 Q08345 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
SCHEMBL14856643 0.88 CDK1 (0.37) POLBL3MBTL1CNR2CDK1
SCHEMBL2809143 0.88 CNR2 (0.35) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186019 0.86 BDKRB1 (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186307 0.85 RAB9A (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2810185 0.85 PROKR1 (0.39) RAB9ACYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2808761 0.85 BDKRB1 (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2810010 0.85 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2807076 0.84 RAB9A (0.41) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186523 0.84 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL185785 0.84 EPHX2 (0.41) RAB9ACYP1A2CYP2D6CYP2C19CNR2

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 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
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 POLB 3203/4885LMNA 2613/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 POLB 3203/4885LMNA 2613/4885RAB9A 347/4885

“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.