SCHEMBL3524283

SCHEMBL3524283

CCn1cnc(OCc2ccccc2)cc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
BRD4 O60885 1/20 0.41
CYP1A2 P05177 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MCHR1 Q99705 2/20 0.40
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL3521393 0.87 MAPK14 (0.58) PKMMAPK14ALDH1A1TSHRSMN1; SMN2
SCHEMBL3521688 0.83 PKM (0.47) PKMMAPK14ALDH1A1TSHRMCHR1
SCHEMBL3522184 0.83 PKM (0.44) PKMMAPK14ALDH1A1TSHRMCHR1
SCHEMBL3523384 0.83 PKM (0.46) PKMMAPK14TSHRMCHR1SMN1; SMN2
SCHEMBL3524513 0.82 HTT (0.54) PKMMAPK14ALDH1A1TSHRSMN1; SMN2
SCHEMBL3524201 0.82 HTT (0.54) PKMMAPK14ALDH1A1TSHRSMN1; SMN2
SCHEMBL3522830 0.81 MAPK14 (0.52) PKMMAPK14ALDH1A1TSHRMCHR1
SCHEMBL3525433 0.81 PKM (0.44) PKMMAPK14ALDH1A1TSHRMCHR1
SCHEMBL3522628 0.80 MAPK14 (0.51) PKMMAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL3522944 0.80 SMN1; SMN2 (0.52) PKMMAPK14ALDH1A1TSHRCYP1A2

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 5 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-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 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 (3 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 38/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885MAPK14 29/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885MAPK14 38/4885ALDH1A1 874/4885

“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.