SCHEMBL140569

SCHEMBL140569

CC(F)(F)c1cc(Nc2nc3ccccc3s2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.50
NPC1 O15118 14/20 0.47
RAB9A P51151 14/20 0.47
SMN1; SMN2 Q16637 13/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 5/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL140467 0.85 DYRK1A (0.51) PIK3CGDYRK1AITK
SCHEMBL144539 0.83 MAPT (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL138887 0.83 RAB9A (0.52) PIK3CGNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL142882 0.76 ITK (0.65) ITK
SCHEMBL142881 0.76 ITK (0.65) ITK
SCHEMBL138886 0.71 LCK (0.46) PIK3CGNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3112891 0.70 NPC1 (0.78) PIK3CGNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30073965 0.70 NPC1 (0.78) PIK3CGNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29598169 0.69 NPC1 (0.56) PIK3CGNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29235724 0.69 NPC1 (0.56) PIK3CGNPC1RAB9ASMN1; SMN2MEN1

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 PIK3CG 308/4885NPC1 2786/4885RAB9A 3413/4885

“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.