SCHEMBL3339949

SCHEMBL3339949

Cc1csc2ncnc(NCc3ccc(F)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
ESR1 P03372 1/20 0.50
THRB P10828 1/20 0.49
USP10 Q14694 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
USP13 Q92995 1/20 0.48
TP53 P04637 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.45
EGFR P00533 3/20 0.44
ERBB2 P04626 2/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NOD2 Q9HC29 1/20 0.44
PDE5A O76074 1/20 0.44

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
SCHEMBL13431474 0.87 HTT (0.62) RAB9AHTTSMN1; SMN2THRBTP53
SCHEMBL3339844 0.87 LMNA (0.57) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3338968 0.87 RAB9A (0.49) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3343049 0.86 RAB9A (0.60) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3340230 0.85 RAB9A (0.51) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3345710 0.85 RAB9A (0.62) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3342319 0.85 CCNC (0.70) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3338838 0.85 RAB9A (0.50) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3340270 0.84 RAB9A (0.52) RAB9AHTTSMN1; SMN2CCNCCDK8
SCHEMBL3338893 0.83 EGFR (0.51) RAB9AHTTSMN1; SMN2CCNCCDK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 RAB9A 2578/4885HTT 383/4885SMN1; SMN2 4740/4885

“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.