SCHEMBL2943003

SCHEMBL2943003

Cc1cc(C(=O)NCCN2CCNCC2)ccc1NC(=O)Cc1ccc(Br)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
SLC2A1 P11166 2/20 0.38
HASPIN Q8TF76 2/20 0.36
DDR1 Q08345 1/20 0.36
CCR2 P41597 4/20 0.35
MCHR1 Q99705 4/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
AURKB Q96GD4 1/20 0.34
DRD4 P21917 1/20 0.34
NAMPT P43490 1/20 0.34
POLB P06746 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
SCHEMBL2948537 0.95 SLC2A1 (0.43) CYP3A4SLC2A1CCR2MCHR1
SCHEMBL2947660 0.93 CYP3A4 (0.39) CYP3A4SLC2A1CCR2MCHR1DRD4
SCHEMBL2942770 0.93 POLB (0.43) CYP3A4SLC2A1POLB
SCHEMBL2949420 0.92 CYP3A4 (0.39) CYP3A4SLC2A1CCR2MCHR1DRD4
SCHEMBL2948814 0.88 SLC2A1 (0.43) CYP3A4SLC2A1CCR2MCHR1
SCHEMBL2948465 0.88 MCHR1 (0.39) CYP3A4SLC2A1CCR2MCHR1
SCHEMBL4638309 0.86 CYP3A4 (0.38) CYP3A4SLC2A1
SCHEMBL2949561 0.86 MCHR1 (0.38) SLC2A1MCHR1POLB
SCHEMBL3021936 0.86 CCR2 (0.36) CYP3A4CCR2MCHR1DRD4NAMPT
SCHEMBL2951649 0.84 CYP3A4 (0.39) CYP3A4SLC2A1

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
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 CYP3A4 889/4885SLC2A1 3007/4885HASPIN 2807/4885

“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.