SCHEMBL463601

SCHEMBL463601

Cc1nc2c3ccc(C(F)(F)F)cc3nc(Cl)n2n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.60
HAVCR2 Q8TDQ0 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PDE2A O00408 2/20 0.36
C1R P00736 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL463514 0.89 PDE10A (0.48) PDE10AHAVCR2KMT2AHSD17B10PDE2A
SCHEMBL405737 0.82 PDE10A (0.57) PDE10AHAVCR2LMNAHTT
SCHEMBL406116 0.81 PDE10A (0.55) PDE10AHAVCR2HSD17B10C1RLMNA
SCHEMBL405733 0.81 HAVCR2 (0.55) PDE10AHAVCR2KMT2ALMNA
SCHEMBL31167556 0.79 PDE10A (0.57) PDE10AHAVCR2HSD17B10LMNACYP1A2
SCHEMBL12245890 0.78 PDE10A (0.38) PDE10AHAVCR2
SCHEMBL462808 0.78 PDE10A (0.38) PDE10AHAVCR2
SCHEMBL439649 0.78 PDE10A (0.53) PDE10AKMT2AHSD17B10KDM4ELMNA
SCHEMBL22988130 0.78 ADORA3 (0.53) HSD17B10KDM4ESMN1; SMN2
SCHEMBL462817 0.77 PDE10A (0.38) PDE10AHAVCR2PDE2AHTT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885MAOB 553/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885MAOB 553/4885

“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.