SCHEMBL3523384

SCHEMBL3523384

O=C(O)Cn1cnc(OCc2ccccc2)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MAPK14 Q16539 1/20 0.45
PTGS2 P35354 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALKBH1 Q13686 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3521688 0.89 PKM (0.47) PKMMAPK14RAB9ATSHRNPC1
SCHEMBL3525433 0.89 PKM (0.44) PKMMAPK14RAB9ATSHRNPC1
SCHEMBL3521393 0.84 MAPK14 (0.58) PKMMAPK14TSHRMEN1KMT2A
SCHEMBL1367127 0.83 MCHR1 (0.52) RAB9ATSHRNPC1MAPK1MCHR1
SCHEMBL3524283 0.83 PKM (0.51) PKMMAPK14RAB9ATSHRNPC1
SCHEMBL1365032 0.82 MCHR1 (0.51) RAB9ANPC1MAPK1MCHR1MEN1
SCHEMBL3522830 0.78 MAPK14 (0.52) PKMMAPK14TSHRMAPK1MCHR1
SCHEMBL1366936 0.78 MCHR1 (0.47) PKMMAPK14TSHRMCHR1KMT2A
SCHEMBL1367631 0.78 MCHR1 (0.55) MCHR1
SCHEMBL3522628 0.77 MAPK14 (0.51) PKMMAPK14NPC1MEN1KMT2A

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-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (2 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885MAPK14 38/4885PTGS2 322/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885MAPK14 29/4885PTGS2 280/4885

“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.