SCHEMBL3521697

SCHEMBL3521697

Cc1ccc(COc2ncn(Cc3ccccc3)c(=O)c2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
HTT P42858 4/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
DAPK1 P53355 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
MMP13 P45452 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.42
MAPK10 P53779 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3525553 1.00 MAPK14 (0.53) MAPK14HTTNPC1ALDH1A1RAB9A
SCHEMBL3526954 0.95 TP53 (0.46) MAPK14HTTNPC1ALDH1A1RAB9A
SCHEMBL3524527 0.92 MAPK14 (0.60) MAPK14HTTALDH1A1DAPK1SMN1; SMN2
SCHEMBL3522304 0.90 MAPK14 (0.55) MAPK14ALDH1A1DAPK1LMNACYP11B1
SCHEMBL3522825 0.89 MAPK14 (0.54) MAPK14HTTALDH1A1DAPK1SMN1; SMN2
SCHEMBL3524246 0.89 MAPK14 (0.54) MAPK14HTTALDH1A1DAPK1SMN1; SMN2
SCHEMBL3522176 0.88 MAPK14 (0.53) MAPK14HTTALDH1A1DAPK1SMN1; SMN2
SCHEMBL3521867 0.88 MAPK14 (0.53) MAPK14HTTALDH1A1DAPK1SMN1; SMN2
SCHEMBL3522796 0.87 MAPK14 (0.50) MAPK14HTTNPC1ALDH1A1DAPK1
SCHEMBL3520673 0.87 MAPK14 (0.50) MAPK14HTTNPC1ALDH1A1DAPK1

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 38/4885HTT 3856/4885NPC1 2314/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885HTT 4322/4885NPC1 1713/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885HTT 3856/4885NPC1 2314/4885

“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.