SCHEMBL4166099

SCHEMBL4166099

NC(=O)c1ccccc1-c1nnc(Nc2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
PTGS1 P23219 1/20 0.41
CSF1R P07333 1/20 0.41
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MTOR P42345 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FPR2 P25090 3/20 0.38
FPR1 P21462 1/20 0.38
MAPK8 P45983 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
RPS6KB1 P23443 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
KIF11 P52732 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL4166105 0.82 PTGS1 (0.40) PTGS1MTORSMN1; SMN2NPC1RAB9A
SCHEMBL28005785 0.76 SCN2A (0.48) KIF11NPC1RAB9A
SCHEMBL22571369 0.73 SIRT2 (0.62) PTGS1MAPK8SIRT2
SCHEMBL2564888 0.71 BCAT2 (0.65) PARP1PTGS1SMN1; SMN2FPR2FPR1
SCHEMBL27906241 0.70 BCAT2 (0.62) PARP1CSF1RSMN1; SMN2FPR2FPR1
SCHEMBL23423252 0.69 MAPT (0.68) PTGS1SMN1; SMN2TRPV1NPC1RAB9A
SCHEMBL29898324 0.69 MAPT (0.68) PTGS1SMN1; SMN2TRPV1NPC1RAB9A
SCHEMBL19449706 0.69 ALOX5 (0.49) KIF11
SCHEMBL12894625 0.69 CSNK1A1 (0.53) PARP1CSNK1A1TYRO3DYRK1BNPC1
SCHEMBL23554036 0.68 FADS1 (0.43) SMN1; SMN2NPC1RAB9A

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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL PARP1 91/4885PTGS1 835/4885CSF1R 4076/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PARP1 91/4885PTGS1 835/4885CSF1R 4076/4885

“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.