SCHEMBL616086

SCHEMBL616086

COc1ccc2cnc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
IL17A Q16552 1/20 0.52
ESR1 P03372 1/20 0.44
SRC P12931 1/20 0.43
LTA4H P09960 2/20 0.43
HDAC6 Q9UBN7 4/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.42
MCHR1 Q99705 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL618768 0.92 BRD4 (0.50) BRD4IL17AESR1SRCLTA4H
SCHEMBL16516221 0.84 BRD4 (0.60) BRD4IL17AHDAC6POLB
SCHEMBL619094 0.83 BRD4 (0.59) BRD4IL17AHDAC6POLB
SCHEMBL618589 0.83 BRD4 (0.59) BRD4IL17AHDAC6POLB
SCHEMBL619114 0.82 BRD4 (0.58) BRD4IL17AHDAC6
SCHEMBL616299 0.80 POLB (0.54) BRD4IL17ASRCPOLBHTR1A
SCHEMBL619345 0.78 POLB (0.55) BRD4IL17ASRCPOLBHTR1A
SCHEMBL619812 0.78 HTR1A (0.46) BRD4IL17AHRH3HTR1AHTR2A
SCHEMBL616003 0.76 SRC (0.45) BRD4IL17ASRCHRH3POLB
SCHEMBL15329285 0.76 MEN1 (0.50) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885ESR1 3730/4885

“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.