SCHEMBL141485

SCHEMBL141485

COc1ccc2nc(Nc3cc(Cc4ccc(F)c(F)c4F)nc(Cl)n3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
ITK Q08881 1/20 0.49
AURKB Q96GD4 1/20 0.49
SMN1; SMN2 Q16637 10/20 0.48
MAPT P10636 10/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
CSNK1D P48730 3/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 5/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 4/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL141299 0.91 KMT2A (0.48) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL138175 0.90 CSNK1D (0.46) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL143888 0.85 LCK (0.41) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL138886 0.84 LCK (0.46) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL143491 0.83 LCK (0.49) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL144539 0.75 MAPT (0.55) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL141486 0.72 LCK (0.67) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL1307056 0.71 MAPT (0.82) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL257970 0.70 AURKB (0.66) LCKITKAURKBSMN1; SMN2MAPT
SCHEMBL141866 0.69 LCK (0.63) LCKITKAURKBSMN1; SMN2MAPT

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-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 LCK 189/4885ITK 2/4885AURKB 53/4885

“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.