SCHEMBL4065289

SCHEMBL4065289

CCc1c(C(N)=O)ccc(C)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 3/20 0.40
FABP4 P15090 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IKBKB O14920 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL4410163 0.89 BCAT2 (0.42) BCAT2BRD4KDM4EFABP4MEN1
SCHEMBL5482150 0.84 PLA2G2A (0.45) BCAT2BRD4FABP4MEN1KMT2A
SCHEMBL5524499 0.84 BCAT2 (0.41) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL5517158 0.82 FABP3 (0.46) BCAT2KDM4EFABP4MEN1KMT2A
SCHEMBL16463070 0.80 MKNK1 (0.43) MKNK1MKNK2IKBKBTDP1USP7
SCHEMBL530131 0.80 BRD4 (0.40) BCAT2BRD4KDM4EFABP4MEN1
SCHEMBL529871 0.80 BCAT2 (0.48) BCAT2BRD4KDM4EFABP4MEN1
SCHEMBL4329498 0.79 SIRT3 (0.40) MEN1KMT2AMKNK1MKNK2MAPT
SCHEMBL4301700 0.79 GCGR (0.43) BCAT2BRD4KDM4EFABP4MEN1
SCHEMBL4444936 0.79 BCAT2 (0.53) BCAT2BRD4KDM4EMEN1KMT2A

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 BCAT2 2077/4885BRD4 3655/4885KDM4E 2711/4885

“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.