SCHEMBL7091473

SCHEMBL7091473

Nc1ccc2c(ccn2CCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.44
PRKCI P41743 1/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7817628 0.83 CDK4 (0.69) CDK4CCND1HTR1AMAPTTDP1
SCHEMBL24418033 0.81 HEXA (0.50) MEN1KMT2AGAAHSD17B10MAPT
SCHEMBL21246042 0.81 CHRM2 (0.52) CDK4CCND1MEN1KMT2AHTR1A
SCHEMBL23084330 0.81 CDK4 (0.48) CDK4CCND1HTR1ATDP1L3MBTL1
SCHEMBL7089623 0.80 HTR1A (0.50) HTR1A
SCHEMBL21245808 0.79 MEN1 (0.53) MEN1KMT2AHSD17B10HTR1AMAPT
SCHEMBL21245229 0.74 BCL2 (0.48) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL17219007 0.74 CDK4 (0.67) CDK4CCND1KMT2A
SCHEMBL5089820 0.74 PRKCI (0.56) CDK4CCND1MEN1KMT2AGAA
SCHEMBL21245159 0.73 P2RX7 (0.51) CDK4CCND1KMT2ATDP1L3MBTL1

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
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 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-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 CDK4 14/4885CCND1 138/4885MEN1 1677/4885

“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.