SCHEMBL4060965

SCHEMBL4060965

Nc1ncc(C(=O)NCc2ccccc2)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CNR2 P34972 3/20 0.53
NR3C1 P04150 1/20 0.52
NSD2 O96028 2/20 0.51
DHFR P00374 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ROCK1 Q13464 1/20 0.50
ALDH1A1 P00352 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
HPGDS O60760 2/20 0.49

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
SCHEMBL8085675 0.84 HPGDS (0.64) KMT2AL3MBTL1MEN1NPC1CNR2
SCHEMBL8085672 0.82 NR3C1 (0.51) KMT2AL3MBTL1MEN1NPC1CNR2
SCHEMBL2907928 0.78 ADORA2A (0.60) KMT2AL3MBTL1MEN1NPC1HTT
SCHEMBL22573588 0.76 HPGDS (0.58) L3MBTL1CNR2THRBROCK1HPGDS
SCHEMBL22573822 0.76 HPGDS (0.64) KMT2AL3MBTL1MEN1NPC1CNR2
SCHEMBL920392 0.75 NSD2 (0.66) KMT2AL3MBTL1NSD2ALDH1A1EGLN1
SCHEMBL15759019 0.74 KMT2A (0.51) KMT2AL3MBTL1NPC1CNR2HTT
SCHEMBL14769150 0.74 RXFP1 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL4745582 0.74 CNR2 (0.69) CNR2
SCHEMBL14391615 0.74 PLAU (0.71) KMT2AL3MBTL1MEN1THRBHTT

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 KMT2A 2345/4885L3MBTL1 3977/4885MEN1 4069/4885

“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.