SCHEMBL3339844

SCHEMBL3339844

Cc1csc2ncnc(NCc3ccc(Cl)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
POLB P06746 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
ESR1 P03372 1/20 0.56
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
MAPT P10636 2/20 0.48
EGFR P00533 1/20 0.48
LRRK2 Q5S007 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL3338189 0.87 HTT (0.62) LMNAPOLBGAAPKMRAB9A
SCHEMBL3339949 0.87 RAB9A (0.52) LMNAESR1RAB9AHTTSMN1; SMN2
SCHEMBL3343049 0.86 RAB9A (0.60) LMNAESR1RAB9AHTTSMN1; SMN2
SCHEMBL3341706 0.86 ESR1 (0.50) LMNAPOLBGAAPKMESR1
SCHEMBL3338893 0.86 EGFR (0.51) LMNAPOLBGAAPKMESR1
SCHEMBL3339831 0.85 HTT (0.51) LMNAPOLBGAAPKMESR1
SCHEMBL3345710 0.85 RAB9A (0.62) LMNAPOLBGAAPKMESR1
SCHEMBL3342319 0.85 CCNC (0.70) LMNAPOLBESR1RAB9AHTT
SCHEMBL3338838 0.85 RAB9A (0.50) LMNAPOLBGAAPKMESR1
SCHEMBL3340270 0.84 RAB9A (0.52) LMNAPOLBGAAPKMESR1

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 LMNA 4824/4885POLB 2075/4885GAA 3083/4885

“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.