SCHEMBL144539

SCHEMBL144539

COc1ccc2nc(Nc3cc(C(C)(F)F)nc(Cl)n3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
SMN1; SMN2 Q16637 11/20 0.55
NPC1 O15118 11/20 0.55
RAB9A P51151 11/20 0.55
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
ALDH1A1 P00352 6/20 0.52
HTT P42858 5/20 0.52
GAA P10253 2/20 0.52
GFER P55789 1/20 0.50
LCK P06239 2/20 0.49
ITK Q08881 2/20 0.49
AURKB Q96GD4 1/20 0.49
HPGD P15428 5/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 3/20 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
SCHEMBL141486 0.86 LCK (0.67) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL140467 0.84 DYRK1A (0.51) LCKITKAURKBDYRK1A
SCHEMBL140569 0.83 PIK3CG (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL140463 0.78 ITK (0.79) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL140464 0.78 ITK (0.79) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1307056 0.77 MAPT (0.82) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL138176 0.76 LCK (0.55) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL140313 0.76 LCK (0.55) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL141485 0.75 LCK (0.49) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30261000 0.73 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AMEN1

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 4 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
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO 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 MAPT 3703/4885SMN1; SMN2 4393/4885NPC1 2786/4885

“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.