SCHEMBL3340230

SCHEMBL3340230

Cc1csc2ncnc(NCc3cccc(F)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CLK4 Q9HAZ1 6/20 0.50
AURKA O14965 5/20 0.50
AURKB Q96GD4 2/20 0.50
CDK8 P49336 2/20 0.50
ABL1 P00519 2/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
LCK P06239 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 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
SCHEMBL13431475 0.88 RAB9A (0.60) RAB9AHTTSMN1; SMN2CLK4LMNA
SCHEMBL3338968 0.88 RAB9A (0.49) RAB9AHTTSMN1; SMN2AURKAAURKB
SCHEMBL3339831 0.86 HTT (0.51) RAB9AHTTSMN1; SMN2CLK4CDK8
SCHEMBL3339949 0.85 RAB9A (0.52) RAB9AHTTSMN1; SMN2CDK8LMNA
SCHEMBL3343049 0.85 RAB9A (0.60) RAB9AHTTSMN1; SMN2CDK8LMNA
SCHEMBL3340533 0.84 RAB9A (0.49) RAB9AHTTSMN1; SMN2AURKACDK8
SCHEMBL3345323 0.84 TP53 (0.60) RAB9AHTTSMN1; SMN2CLK4AURKA
SCHEMBL3340270 0.83 RAB9A (0.52) RAB9AHTTSMN1; SMN2CDK8RPS6KB1
SCHEMBL3338893 0.81 EGFR (0.51) RAB9AHTTSMN1; SMN2CDK8FGFR1
SCHEMBL3339730 0.81 HTT (0.48) RAB9AHTTSMN1; SMN2AURKAAURKB

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.