SCHEMBL463514

SCHEMBL463514

Cc1nc2c3cc(C(F)(F)F)ccc3nc(Cl)n2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.48
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PDE2A O00408 3/20 0.39
PDE5A O76074 1/20 0.38
PDE4D Q08499 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DHODH Q02127 2/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL463601 0.89 PDE10A (0.60) PDE10APDE2AHAVCR2KMT2AHSD17B10
SCHEMBL437372 0.85 CCNE2 (0.43) PDE10ACCNE2CCNA2CCNE1CDK2
SCHEMBL404654 0.81 PDE10A (0.55) PDE10APDE5APDE4DHAVCR2KMT2A
SCHEMBL406127 0.81 PDE10A (0.60) PDE10APDE5APDE4DHAVCR2KMT2A
SCHEMBL463648 0.81 PDE10A (0.44) PDE10APDE2APDE5APDE4DHAVCR2
SCHEMBL405895 0.79 PDE10A (0.57) PDE10APDE5APDE4DHAVCR2KMT2A
SCHEMBL463527 0.78 PDE10A (0.38) PDE10APDE2AHAVCR2KMT2AHSD17B10
SCHEMBL462808 0.78 PDE10A (0.38) PDE10AHAVCR2CDK4CCND1
SCHEMBL12245890 0.78 PDE10A (0.38) PDE10AHAVCR2CDK4CCND1
SCHEMBL440877 0.78 HRH4 (0.50) PDE10AKMT2AHSD17B10

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885CCNE2 2195/4885CCNA2 2162/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885CCNE2 2195/4885CCNA2 2162/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885CCNE2 2195/4885CCNA2 2162/4885

“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.