SCHEMBL17013471

SCHEMBL17013471

CSc1ncc(C(=O)O)c(NCc2ccc(CO)c(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ THRB P10828 2/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ STAT6 P42226 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
SCHEMBL17013478 0.88 THRB (0.56) HTTLMNAPPARGTHRBRXFP1
SCHEMBL17013474 0.87 ALDH1A1 (0.56) HTTLMNAMEN1KMT2AMAPT
SCHEMBL17013473 0.85 PDE5A (0.52) HTTLMNAMAPT
SCHEMBL31189121 0.84 PDE5A (0.54) —
SCHEMBL4974720 0.84 PDE5A (0.54) —
SCHEMBL19158560 0.84 ITGB1 (0.45) HTTITGB1ITGA4GAAGFER
SCHEMBL16816694 0.84 ITGB1 (0.45) HTTITGB1ITGA4GAAGFER
SCHEMBL17013488 0.84 HTT (0.44) HTTITGB1ITGA4GAAGFER
SCHEMBL17013476 0.82 AGTR1 (0.39) STAT6
SCHEMBL16116529 0.81 HTT (0.45) HTTITGB1ITGA4GAAGFER

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
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 — — US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 — — 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP HTT 2667/4885ITGB1 4830/4885ITGA4 4747/4885

“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.

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