SCHEMBL3343049

SCHEMBL3343049

Cc1csc2ncnc(NCc3ccccc3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
CCNC P24863 1/20 0.59
CDK8 P49336 1/20 0.59
LMNA P02545 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NOD2 Q9HC29 1/20 0.57
EGFR P00533 4/20 0.54
PDE5A O76074 1/20 0.54
MAPK1 P28482 2/20 0.51
ICAM1 P05362 1/20 0.51
SELE P16581 1/20 0.51
VCAM1 P19320 1/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL3339949 0.86 RAB9A (0.52) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3339844 0.86 LMNA (0.57) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3339831 0.85 HTT (0.51) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3340230 0.85 RAB9A (0.51) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3338838 0.84 RAB9A (0.50) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3342319 0.84 CCNC (0.70) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3345710 0.84 RAB9A (0.62) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3340270 0.84 RAB9A (0.52) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL3345323 0.83 TP53 (0.60) RAB9ASMN1; SMN2HTTCCNCCDK8
SCHEMBL2369277 0.82 CCNC (0.78) SMN1; SMN2HTTCCNCCDK8LMNA

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 3 patents. 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
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO 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 2578/4885SMN1; SMN2 4740/4885HTT 383/4885

“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.