SCHEMBL3525531

SCHEMBL3525531

Cc1nc(OCc2ccccc2)c(Br)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE7A Q13946 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
DAPK1 P53355 1/20 0.39
PKM P14618 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3521380 0.86 MAPK14 (0.64) MAPK14NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3520520 0.83 MAPK14 (0.51) MAPK14NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL3526202 0.82 MAPK14 (0.41) MAPK14NPC1RAB9ASMN1; SMN2PDE7A
SCHEMBL3523334 0.82 MAPK14 (0.67) MAPK14
SCHEMBL3522952 0.81 MAPK14 (0.46) MAPK14NPC1RAB9ASMN1; SMN2PDE7A
SCHEMBL3526500 0.81 MAPK14 (0.66) MAPK14CYP1A2USP2ALDH1A1CYP3A4
SCHEMBL3521240 0.80 MAPK14 (0.43) MAPK14
SCHEMBL3524503 0.80 MAPK14 (0.43) MAPK14
SCHEMBL3523709 0.80 MAPK14 (0.48) MAPK14PKMALDH1A1
SCHEMBL3522403 0.79 MAPK14 (0.52) MAPK14NPC1RAB9ASMN1; SMN2L3MBTL1

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.