SCHEMBL4879346

SCHEMBL4879346

CC(=O)c1ccncn1.COC(C)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
GRM4 Q14833 2/20 0.38
FAAH O00519 1/20 0.37
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CHRM2 P08172 1/20 0.35
GRM5 P41594 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TBXA2R P21731 4/20 0.34
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HPGDS O60760 1/20 0.32

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
SCHEMBL882669 0.86
SCHEMBL8016097 0.73 P2RX7 (0.52) P2RX7CTNNB1WNT3AALDH1A1BRD4
SCHEMBL29947435 0.73 P2RX7 (0.56) P2RX7CTNNB1WNT3AALDH1A1BRD4
SCHEMBL249470 0.73 P2RX7 (0.56) P2RX7CTNNB1WNT3AALDH1A1BRD4
SCHEMBL30601079 0.72 P2RX7 (0.47) P2RX7CTNNB1WNT3AALDH1A1BRD4
SCHEMBL27282264 0.72 P2RX7 (0.47) P2RX7CTNNB1WNT3AALDH1A1BRD4
SCHEMBL6646372 0.72 P2RX7 (0.61) P2RX7CTNNB1WNT3AALDH1A1BRD4
Hydrochloric Acid SCHEMBL28392257 0.72 P2RX7 (0.55) P2RX7CTNNB1WNT3AALDH1A1BRD4
Acetic Acid SCHEMBL11881380 0.71 P2RX7 (0.53) P2RX7CTNNB1WNT3AALDH1A1GRM4
SCHEMBL11881388 0.70 P2RX7 (0.49) P2RX7CTNNB1WNT3AALDH1A1BRD4

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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF AJINOMOTO CO., INC. (JP) 2008-01-17 US disclosed
EP-1849761-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080015353-A1 PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF DPYD, UMPS, PNPO P2RX7 798/4885CTNNB1 4523/4885WNT3A 3478/4885

“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.