SCHEMBL2543965

SCHEMBL2543965

CN1CCN(CCCCOc2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.44
PLK1 P53350 5/20 0.42
PLK3 Q9H4B4 3/20 0.42
NEK2 P51955 3/20 0.41
AVPR1B P47901 6/20 0.40
HRH3 Q9Y5N1 5/20 0.40
PIK3CD O00329 1/20 0.40
NUAK1 O60285 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
KDR P35968 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL2540395 0.98 CXCR1 (0.46) CXCR1PLK1PLK3NEK2AVPR1B
SCHEMBL2541119 0.95 MEN1 (0.45) CXCR1PLK1PLK3NEK2PIK3CD
SCHEMBL2532294 0.92 AVPR1B (0.47) AVPR1BHRH3
SCHEMBL2540425 0.92 AVPR1B (0.47) PLK1PLK3AVPR1BHRH3
SCHEMBL2538280 0.91 AVPR1B (0.48) PLK1PLK3AVPR1BHRH3
SCHEMBL3795806 0.91 CXCR1 (0.47) CXCR1AVPR1BHRH3HRH4MEN1
SCHEMBL2536136 0.90 AVPR1B (0.49) AVPR1B
SCHEMBL2488199 0.89 HRH3 (0.44) PLK1PLK3AVPR1BHRH3KDR
SCHEMBL2540418 0.88 PLK1 (0.43) PLK1PLK3NEK2
SCHEMBL2489013 0.88 PLK1 (0.52) PLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 CXCR1 2783/4885PLK1 2782/4885PLK3 1584/4885

“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.