SCHEMBL3526202

SCHEMBL3526202

Cc1nc(OCc2ccco2)c(Br)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.41
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3525531 0.82 MAPK14 (0.47) MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4380100 0.80 MAPK14 (0.66) MAPK14
SCHEMBL3523334 0.79 MAPK14 (0.67) MAPK14
SCHEMBL3522952 0.78 MAPK14 (0.46) MAPK14NPC1RAB9ASMN1; SMN2PKM
SCHEMBL3524503 0.77 MAPK14 (0.43) MAPK14
SCHEMBL3523709 0.76 MAPK14 (0.48) MAPK14ALDH1A1MEN1PKMKMT2A
SCHEMBL5264648 0.76 MAPK14 (0.55) MAPK14
SCHEMBL3522797 0.76 MAPK14 (0.56) MAPK14
SCHEMBL3523763 0.74 MAPK14 (0.53) MAPK14
SCHEMBL3526113 0.73 MAPK14 (0.51) 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 38/4885NPC1 2314/4885RAB9A 682/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885NPC1 1713/4885RAB9A 594/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885NPC1 2314/4885RAB9A 682/4885

“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.