SCHEMBL4065283

SCHEMBL4065283

CCc1c(C(N)=O)cccc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
BCAT2 O15382 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PARP1 P09874 3/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IKBKB O14920 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL370726 0.88 MYC (0.45) MYCBCAT2KEAP1NFE2L2PARP1
SCHEMBL4434798 0.85 BCAT2 (0.44) MYCBCAT2KEAP1NFE2L2PARP1
SCHEMBL1660584 0.84 PARP1 (0.46) MYCPARP1ALDH1A1HPGDLMNA
SCHEMBL5482149 0.83 MYC (0.47) MYCBCAT2KEAP1NFE2L2ALDH1A1
SCHEMBL5742619 0.83 MYC (0.53) MYCBCAT2KEAP1NFE2L2PARP1
SCHEMBL5524497 0.83 PARP1 (0.47) BCAT2KEAP1NFE2L2PARP1FGFR1
SCHEMBL4439618 0.82 BCAT2 (0.62) MYCBCAT2KEAP1NFE2L2PARP1
SCHEMBL27459283 0.81 MEN1 (0.46) BCAT2KEAP1NFE2L2PARP1ALDH1A1
SCHEMBL1788703 0.81 BCAT2 (0.59) MYCBCAT2KEAP1NFE2L2ALDH1A1
SCHEMBL45719 0.80 PARP1 (0.51) BCAT2KEAP1NFE2L2PARP1ALDH1A1

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-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH MYC 3227/4885BCAT2 2077/4885KEAP1 3933/4885

“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.