Sugi Predict

Sugi Predict / Compounds / SCHEMBL463527

SCHEMBL463527

SCHEMBL463527

Cc1nc2c3cc(C(F)(F)F)cc(F)c3nc(Cl)n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.38
▸ HAVCR2 Q8TDQ0 2/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ GABRB3 P28472 4/20 0.33
▸ GABRA2 P47869 3/20 0.33
▸ GABRB2 P47870 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33

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
SCHEMBL405001 0.83 PDE10A (0.38) PDE10AHAVCR2HSD17B10HRH4
SCHEMBL463514 0.78 PDE10A (0.48) PDE10AHAVCR2CDK4CCND1KMT2A
SCHEMBL462646 0.78 HRH4 (0.50) PDE10AKMT2AHSD17B10HRH4
Hydrochloric Acid SCHEMBL439395 0.77 HRH4 (0.49) PDE10AKMT2AHSD17B10HRH4
SCHEMBL463086 0.77 HRH4 (0.51) PDE10AKMT2AHSD17B10HRH4
Hydrochloric Acid SCHEMBL438441 0.76 HRH4 (0.50) PDE10AHRH4
SCHEMBL463601 0.76 PDE10A (0.60) PDE10AHAVCR2KMT2AHSD17B10SMN1; SMN2
SCHEMBL463624 0.75 PDE10A (0.38) PDE10AHAVCR2HRH4PDE2A
SCHEMBL462817 0.75 PDE10A (0.38) PDE10AHAVCR2HRH4PDE2A
SCHEMBL462665 0.73 HAVCR2 (0.47) PDE10AHAVCR2CDK4CCND1HSD17B10

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 4079/4885HAVCR2 84/4885CDK4 1303/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885CDK4 1303/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885CDK4 1303/4885

“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.