SCHEMBL2804929

SCHEMBL2804929

CSc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.47
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NAMPT P43490 1/20 0.34
CNR2 P34972 2/20 0.34
BRAF P15056 2/20 0.34
EGFR P00533 1/20 0.34
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
ADRB2 P07550 1/20 0.33
TP53 P04637 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
SCHEMBL185600 0.90 BDKRB1 (0.40) BDKRB1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL13128425 0.88 BDKRB1 (0.48) BDKRB1CYP3A4CYP2C9CYP2C19CNR1
SCHEMBL13128419 0.86 BDKRB1 (0.47) BDKRB1EPHX2NR1H4NAMPTCXCR4
SCHEMBL13159661 0.85 BDKRB1 (0.46) BDKRB1CYP3A4CYP2C9CYP2C19CNR1
SCHEMBL13128516 0.85 BDKRB1 (0.48) BDKRB1CNR1NPC1RAB9AEPHX2
SCHEMBL2805808 0.85 BDKRB1 (0.48) BDKRB1CNR1MAPTNR1H4NAMPT
SCHEMBL2805694 0.85 BDKRB1 (0.54) BDKRB1KMT2AMEN1CNR1NAMPT
SCHEMBL13128518 0.82 BDKRB1 (0.45) BDKRB1CNR1CNR2
SCHEMBL2813417 0.80 BDKRB1 (0.41) BDKRB1CNR2HDAC1CXCR4
SCHEMBL2805619 0.80 BDKRB1 (0.40) BDKRB1CYP2C19MAPTRAB9ACNR2

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 7 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 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

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 BDKRB1 289/4885KMT2A 4682/4885MEN1 314/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885KMT2A 4682/4885MEN1 314/4885

“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.