SCHEMBL3521499

SCHEMBL3521499

CC(C)(C)c1ccc(Cn2cnc(OCc3ccccc3)cc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
NR1I2 O75469 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
NR4A2 P43354 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
NR1H4 Q96RI1 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
ADORA2B P29275 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL3521393 0.89 MAPK14 (0.58) MAPK14MEN1KMT2APKMHTT
SCHEMBL3522538 0.88 MAPK14 (0.48) MAPK14MEN1KMT2APKMSMN1; SMN2
SCHEMBL3524513 0.86 HTT (0.54) MAPK14MEN1KMT2APKMTP53
SCHEMBL3524201 0.86 HTT (0.54) MAPK14MEN1KMT2APKMTP53
SCHEMBL3522830 0.85 MAPK14 (0.52) MAPK14MEN1KMT2APKMHTT
SCHEMBL3522628 0.84 MAPK14 (0.51) MAPK14MEN1KMT2APKMHTT
SCHEMBL3522944 0.84 SMN1; SMN2 (0.52) MAPK14PKMSMN1; SMN2ALDH1A1HPGD
SCHEMBL3520539 0.83 MAPK14 (0.48) MAPK14MEN1KMT2APKMHTT
SCHEMBL3524992 0.82 MAPK14 (0.47) MAPK14NR1I2MEN1KMT2APKM
SCHEMBL3521589 0.81 MAPK14 (0.49) MAPK14

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 MAPK14 38/4885ABCC8 1126/4885KCNJ11 3195/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ABCC8 1507/4885KCNJ11 2877/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ABCC8 1126/4885KCNJ11 3195/4885

“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.