SCHEMBL3340252

SCHEMBL3340252

Cc1csc2ncnc(NCc3ccccc3Cl)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 5/20 0.48
ALOX15 P16050 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
NOD2 Q9HC29 1/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
CLK2 P49760 1/20 0.47
IRAK1 P51617 1/20 0.47
CSNK2A1 P68400 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47

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
SCHEMBL3341401 0.88 SMN1; SMN2 (0.66) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3339118 0.85 LMNA (0.50) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3338956 0.85 MEN1 (0.60) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3339804 0.83 MEN1 (0.64) HTTRAB9ASMN1; SMN2LMNAALOX15
SCHEMBL3339821 0.82 RAB9A (0.53) HTTRAB9ASMN1; SMN2LMNAALOX15
SCHEMBL3343049 0.82 RAB9A (0.60) HTTRAB9ASMN1; SMN2LMNAALOX15
SCHEMBL3339698 0.80 SMN1; SMN2 (0.52) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3339844 0.80 LMNA (0.57) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3341706 0.79 ESR1 (0.50) HTTRAB9ASMN1; SMN2LMNARXFP1
SCHEMBL3339831 0.78 HTT (0.51) HTTRAB9ASMN1; SMN2LMNARXFP1

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 HTT 383/4885RAB9A 2578/4885SMN1; 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.