SCHEMBL3169334

SCHEMBL3169334

Cc1csc2c(=O)n(-c3ccc(Cl)nc3)c(C3CCC(C(F)(F)F)CC3)nc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3169324 1.00 PDE4B (0.33) PDE4BPDE7ASMN1; SMN2PIK3CACHRNB2
SCHEMBL13660351 0.93 SMN1; SMN2 (0.34) PDE4BPDE7ASMN1; SMN2PIK3CACHRNB2
SCHEMBL3175372 0.89 POLB (0.39) PDE4BPDE7ASMN1; SMN2
SCHEMBL3175361 0.89 POLB (0.39) PDE4BPDE7ASMN1; SMN2
SCHEMBL3178928 0.85 KDM4E (0.36) PDE4BPDE7ASMN1; SMN2
SCHEMBL3178920 0.85 KDM4E (0.36) PDE4BPDE7ASMN1; SMN2
SCHEMBL13660414 0.84 SMN1; SMN2 (0.34) PDE4BPDE7ASMN1; SMN2CHRNB2CHRNA4
SCHEMBL4755763 0.78 PIK3CA (0.36) PIK3CACHRNB2CHRNA4
SCHEMBL4755760 0.78 PIK3CA (0.36) PIK3CACHRNB2CHRNA4
SCHEMBL4755767 0.77 CHRNB2 (0.34) PIK3CACHRNB2CHRNA4

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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US claimed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 PDE4B 1345/4885PDE7A 374/4885SMN1; SMN2 2096/4885

“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.