SCHEMBL3169408

SCHEMBL3169408

CCn1cnc2c(=O)n(-c3ccc(Cl)nc3)c([C@H]3CC[C@@H](C(F)(F)F)CC3)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.35
DRD1 P21728 5/20 0.32
DRD5 P21918 5/20 0.32
TRPA1 O75762 1/20 0.31
PRKCA P17252 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
NR3C1 P04150 1/20 0.31
USP14 P54578 1/20 0.31
PIK3CA P42336 1/20 0.31
CNR2 P34972 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL3169414 1.00 YTHDC1 (0.35) YTHDC1DRD1DRD5TRPA1PRKCA
SCHEMBL3168698 0.90 MAT2A (0.38) YTHDC1DRD1DRD5CNR2PDE1A
SCHEMBL3168689 0.90 MAT2A (0.38) YTHDC1DRD1DRD5CNR2PDE1A
SCHEMBL3176808 0.90 DRD1 (0.41) YTHDC1DRD1DRD5PRKCACNR2
SCHEMBL3177134 0.87 CDK1 (0.38) DRD1DRD5CNR2ABL1CDK1
SCHEMBL3177139 0.87 CDK1 (0.38) DRD1DRD5CNR2ABL1CDK1
SCHEMBL3182650 0.86 CTSS (0.35) USP14PDE1APDE1BPDE1CCDK1
SCHEMBL3182660 0.86 CTSS (0.35) USP14PDE1APDE1BPDE1CCDK1
SCHEMBL3174616 0.84 CTSS (0.37) DRD1DRD5TRPA1PRKCAUSP14
SCHEMBL3174620 0.84 CTSS (0.37) DRD1DRD5TRPA1PRKCAUSP14

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 4 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
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
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 YTHDC1 4321/4885DRD1 1469/4885DRD5 1301/4885

“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.