SCHEMBL1787084

SCHEMBL1787084

Cn1cnc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
EGLN2 Q96KS0 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NAMPT P43490 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
KMT2A Q03164 1/20 0.35
ROCK2 O75116 5/20 0.35
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 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
SCHEMBL1787686 0.83 NAMPT (0.49) HPGDSPRMT5WDR77NAMPTHDAC6
SCHEMBL1792607 0.82 ROCK2 (0.48) KMT2AROCK2KDM4ENPC1RAB9A
SCHEMBL1790046 0.82 KDM4E (0.52) NAMPTKMT2AROCK2KDM4ENPC1
SCHEMBL1789608 0.81 NAMPT (0.49) NAMPTHDAC6KMT2AROCK2NPC1
SCHEMBL1789905 0.81 ROCK2 (0.48) EGLN2KMT2AROCK2ROCK1NPC1
SCHEMBL1791556 0.80 ITK (0.44) PRMT5WDR77NAMPTHDAC6KMT2A
SCHEMBL1787082 0.80 HRH3 (0.48) HPGDSEGLN2NPC1
SCHEMBL1787706 0.80 HDAC6 (0.43) PRMT5NAMPTHDAC6KMT2ANPC1
SCHEMBL1787644 0.80 ALDH1A1 (0.53) KMT2AKDM4ENPC1RAB9A
SCHEMBL1789071 0.80 NPC1 (0.41) NAMPTHDAC6KMT2AROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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 (1 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 HPGDS 1551/4885EGLN2 1377/4885PRMT5 1438/4885

“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.