SCHEMBL140628

SCHEMBL140628

CS(=O)(=O)c1ccc2nc(Nc3cc(Cc4ccccc4)nc(F)n3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
RXFP1 Q9HBX9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
LCK P06239 5/20 0.49
ITK Q08881 5/20 0.49
AURKB Q96GD4 5/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CLK1 P49759 1/20 0.48
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
SRC P12931 1/20 0.48
TEC P42680 1/20 0.48
TXK P42681 1/20 0.48

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
SCHEMBL140143 0.84 AURKB (0.65) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL141365 0.83 AURKB (0.65) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL144508 0.82 AURKB (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL141266 0.82 AURKB (0.51) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL141186 0.82 AURKB (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL143634 0.82 MAPT (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL138174 0.82 AURKB (0.56) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL144028 0.82 AURKB (0.56) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL139586 0.81 ITK (0.78) MEN1KMT2AALDH1A1HSD17B10LCK
SCHEMBL139585 0.81 ITK (0.78) MEN1KMT2AALDH1A1HSD17B10LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK MEN1 4188/4885KMT2A 2432/4885ALDH1A1 1469/4885

“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.