SCHEMBL3339804

SCHEMBL3339804

COc1ccccc1CNc1ncnc2scc(C)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TNF P01375 1/20 0.64
NOD1 Q9Y239 1/20 0.64
MAPK1 P28482 2/20 0.54
TSHR P16473 6/20 0.54
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2D6 P10635 5/20 0.54
CYP2C19 P33261 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
ALOX15 P16050 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 5/20 0.52
CYP2C9 P11712 2/20 0.51

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
SCHEMBL3339821 0.89 RAB9A (0.53) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL3341524 0.88 RAB9A (0.64) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL3340252 0.83 HTT (0.56) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL3338956 0.83 MEN1 (0.60) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL13431524 0.81 KMT2A (0.61) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL3339911 0.80 TNF (0.65) MEN1KMT2ATNFNOD1MAPK1
SCHEMBL3343049 0.80 RAB9A (0.60) TNFNOD1MAPK1TSHRCYP1A2
SCHEMBL3805579 0.79 MAPT (0.53) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL3342319 0.78 CCNC (0.70) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3339698 0.78 SMN1; SMN2 (0.52) MEN1KMT2ATNFNOD1MAPK1

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 MEN1 2315/4885KMT2A 578/4885TNF 1616/4885

“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.