SCHEMBL3341401

SCHEMBL3341401

Cc1csc2ncnc(NCCc3ccccc3Cl)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
RAB9A P51151 2/20 0.66
HTT P42858 2/20 0.66
LMNA P02545 5/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NOD2 Q9HC29 1/20 0.46
DYRK3 O43781 2/20 0.45
MAP4K4 O95819 2/20 0.45
EGFR P00533 2/20 0.45
PIM1 P11309 2/20 0.45
CLK2 P49760 2/20 0.45
IRAK1 P51617 2/20 0.45
CSNK2A1 P68400 2/20 0.45
MAP4K2 Q12851 2/20 0.45
DYRK1A Q13627 2/20 0.45
PIM3 Q86V86 2/20 0.45
AURKB Q96GD4 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
HIPK4 Q8NE63 1/20 0.45

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
SCHEMBL3340252 0.88 HTT (0.56) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3339732 0.86 RAB9A (0.66) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL8497061 0.84 RAB9A (0.64) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3341524 0.84 RAB9A (0.64) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3339099 0.81 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3338189 0.81 HTT (0.62) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3339781 0.79 RAB9A (0.60) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL3339076 0.79 HTT (0.60) SMN1; SMN2RAB9AHTTLMNACLK4
SCHEMBL13431476 0.78 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AHTTLMNARXFP1
SCHEMBL8505625 0.77 HTT (0.64) SMN1; SMN2RAB9AHTTLMNAEGFR

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 SMN1; SMN2 4740/4885RAB9A 2578/4885HTT 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.