SCHEMBL3524029

SCHEMBL3524029

O=c1c(Br)c(OCc2ccccc2)ncn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
DAPK1 P53355 1/20 0.44
NR3C1 P04150 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MMP13 P45452 1/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 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
SCHEMBL3522112 0.91 MAPK14 (0.50) MAPK14NR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3524527 0.89 MAPK14 (0.60) MAPK14DAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3519980 0.89 MAPT (0.50) MAPK14KDM4EALDH1A1SMN1; SMN2MMP13
SCHEMBL3520673 0.89 MAPK14 (0.50) MAPK14DAPK1ALDH1A1SMN1; SMN2
SCHEMBL3519640 0.88 MAPK14 (0.56) MAPK14KDM4EALDH1A1SMN1; SMN2
SCHEMBL3521867 0.87 MAPK14 (0.53) MAPK14DAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3522304 0.87 MAPK14 (0.55) MAPK14DAPK1ALDH1A1
SCHEMBL3521557 0.87 MAPK14 (0.48) MAPK14DAPK1
SCHEMBL3524246 0.86 MAPK14 (0.54) MAPK14DAPK1ALDH1A1SMN1; SMN2
SCHEMBL3522825 0.86 MAPK14 (0.54) MAPK14DAPK1ALDH1A1SMN1; SMN2

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 38/4885DAPK1 553/4885NR3C1 836/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885DAPK1 682/4885NR3C1 699/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885DAPK1 553/4885NR3C1 836/4885

“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.