SCHEMBL4060972

SCHEMBL4060972

NC(=O)c1c(Cl)nc(N)nc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LTB4R Q15722 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
BRD4 O60885 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL27852624 0.82 ALDH1A1 (0.42) MPOPLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL15621844 0.82 MPO (0.43) MPOPLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL4060963 0.81 ALDH1A1 (0.43) PLA2G10PLA2G2AALDH1A1HPGDUSP2
SCHEMBL7606821 0.73 KDM4E (0.58) ALDH1A1HPGDNPSR1ADORA2AADORA1
SCHEMBL4064974 0.73 ADORA1 (0.45) MPOALDH1A1HPGDMAPTHSD17B10
SCHEMBL27373968 0.72 POLB (0.52) ALDH1A1HPGDUSP2MAPTRECQL
SCHEMBL16989795 0.71 PLA2G2A (0.45) PLA2G10PLA2G2AALDH1A1LTB4RKMT2A
SCHEMBL3217195 0.71 BRD4 (0.50) PLA2G10PLA2G2AALDH1A1HPGDUSP2
SCHEMBL28313056 0.71 CASP1 (0.44) PLA2G10PLA2G2AALDH1A1HPGDALOX15
SCHEMBL6415745 0.70 NPSR1 (0.68) PLA2G2AALDH1A1HPGDNPSR1RAB9A

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 MPO 2671/4885PLA2G10 1325/4885PLA2G2A 1081/4885

“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.