SCHEMBL16816712

SCHEMBL16816712

COc1ncc(CNc2nc(SC)ncc2C(=O)O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.48
▸ PPARG P37231 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PDE4B Q07343 1/20 0.38

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
SCHEMBL16816475 0.88 ALDH1A1 (0.60) PDE5AHTTALDH1A1MEN1KMT2A
SCHEMBL17013488 0.87 HTT (0.44) PDE5APPARGHTTALDH1A1ITGB1
SCHEMBL31189121 0.85 PDE5A (0.54) PDE5A
SCHEMBL4974720 0.85 PDE5A (0.54) PDE5A
SCHEMBL16816453 0.85 PDE5A (0.68) PDE5A
SCHEMBL16824948 0.80 KDM4E (0.54) PPARGHTTALDH1A1MEN1KMT2A
SCHEMBL17013471 0.80 HTT (0.50) PPARGHTTITGB1ITGA4MEN1
SCHEMBL19158560 0.79 ITGB1 (0.45) PPARGHTTITGB1ITGA4MEN1
SCHEMBL16816694 0.79 ITGB1 (0.45) PPARGHTTITGB1ITGA4MEN1
SCHEMBL1522370 0.78 PPARG (0.62) PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 — — EP disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 — — US disclosed
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
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 — — US disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 — — EP disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 — — EP 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 PDE5A 81/4885PPARG 577/4885HTT 2667/4885

“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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