SCHEMBL641455

SCHEMBL641455

C1=Cc2ccccc2-c2cc3ccccc3n2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.32
ABCB11 O95342 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL16354331 0.81 ACLY (0.36) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL270972 0.80 POLB (0.40) KMT2AALDH1A1KDM4EHPGDTSHR
SCHEMBL11009537 0.77 NOTUM (0.38) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3903095 0.76 CREBBP (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3986117 0.74 KMT2A (0.35) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL29851785 0.72 HTR2A (0.40) KMT2AALDH1A1HTR2AHTR2CTSHR
SCHEMBL1864062 0.72 HTR2A (0.40) KMT2AALDH1A1HTR2AHTR2CTSHR
SCHEMBL2156296 0.70 BCL2L1 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4829875 0.70 KMT2A (0.36) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2421457 0.69 KDM4E (0.49) KMT2AALDH1A1MEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280978-B1 PYRROLIDINE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 EP disclosed
US-8119628-B2 Pyrrolidine fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110020276-A1 Pyrrolidine Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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-20110020276-A1 Pyrrolidine Fused Indolobenzadiazepine HCV NS5B Inhibitors NSD2, EIF2AK2, ZC3HAV1 KMT2A 2930/4885ALDH1A1 1774/4885MEN1 4867/4885

“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.