SCHEMBL4920985

SCHEMBL4920985

Cc1cccnc1CNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
CXCR3 P49682 2/20 0.48
TAS2R14 Q9NYV8 4/20 0.48
KCNA5 P22460 1/20 0.47
CNR1 P21554 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4741416 0.83 TAS2R14 (0.62) CNR2CXCR3TAS2R14CNR1MAPT
SCHEMBL25378467 0.81 HTT (0.50) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL4924546 0.81 CXCR3 (0.64) CXCR3TAS2R14KCNA5ALDH1A1TDP1
SCHEMBL4743380 0.80 TAS2R14 (0.54) CNR2CXCR3TAS2R14MAPTALDH1A1
SCHEMBL4918682 0.80 NAMPT (0.67) TAS2R14ALDH1A1TDP1L3MBTL1NAMPT
SCHEMBL14025445 0.78 CXCR3 (0.56) CNR2CXCR3TAS2R14KCNA5MAPT
SCHEMBL4920990 0.78 CNR2 (0.55) CNR2CXCR3TAS2R14KCNA5CNR1
SCHEMBL4926437 0.78 CNR2 (0.64) CNR2CXCR3TAS2R14CNR1MAPT
SCHEMBL14025406 0.77 CNR2 (0.53) CNR2CXCR3TAS2R14CNR1MAPT
SCHEMBL14025432 0.76 CXCR3 (0.60) CNR2CXCR3KCNA5ALDH1A1TDP1

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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A CNR2 4124/4885CXCR3 248/4885TAS2R14 4808/4885

“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.