SCHEMBL16816751

SCHEMBL16816751

COc1ccc(CNc2nc(N3CCC4(CC4)C3)ncc2C(=O)NCc2ccccn2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 1.00

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
SCHEMBL16816765 0.92 PDE5A (1.00) PDE5A
SCHEMBL16816367 0.91 PDE5A (1.00) PDE5A
SCHEMBL19158119 0.91 PDE5A (0.84) PDE5A
SCHEMBL16816838 0.88 PDE5A (1.00) PDE5A
SCHEMBL17013456 0.88 PDE5A (0.79) PDE5A
SCHEMBL4988990 0.88 PDE5A (0.82) PDE5A
SCHEMBL16816875 0.88 PDE5A (1.00) PDE5A
Hydrochloric Acid SCHEMBL4987593 0.87 PDE5A (0.81) PDE5A
SCHEMBL19158435 0.87 PDE5A (0.76) PDE5A
SCHEMBL16816555 0.86 PDE5A (0.89) PDE5A

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
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
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 81/4885

“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.