SCHEMBL4856199

SCHEMBL4856199

N=C(Nc1ccc(F)cc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 1/20 0.46
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL14223876 0.85 NPC1 (0.56) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL455628 0.85 NAMPT (0.56) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL14223443 0.84 RAB9A (0.48) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL4740211 0.81 POLB (0.56) CYP11B1CYP11B2KDM4EPOLBKMT2A
SCHEMBL9031269 0.81 ROCK2 (0.73) CYP11B1CYP11B2KDM4EPOLBNPC1
SCHEMBL29362556 0.81 ROCK2 (0.73) CYP11B1CYP11B2KDM4EPOLBNPC1
SCHEMBL4854969 0.80 RAB9A (0.70) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4854662 0.80 KMT2A (0.52) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4863530 0.80 KDM4E (0.59) KDM4EPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4854779 0.80 KMT2A (0.58) KDM4ENPC1RAB9ASMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP CYP11B1 136/4885CYP11B2 128/4885KDM4E 4161/4885

“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.