SCHEMBL3517699

SCHEMBL3517699

O=c1c(Br)c(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
STAT6 P42226 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PDE1C Q14123 2/20 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
Trifluoroacetic Acid SCHEMBL3522306 0.81 HRH4 (0.43) MAPK14ALDH1A1HPGDKDM4ENPSR1
SCHEMBL4474203 0.81 MAPK14 (0.57) MAPK14STAT6ALDH1A1MEN1KMT2A
SCHEMBL3521262 0.80 GPR119 (0.45) MAPK14ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16423059 0.78 KMT2A (0.49) MAPK14STAT6ALDH1A1MEN1KMT2A
SCHEMBL3525282 0.78 MAPK14 (0.56) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL3524971 0.76 MAPK14 (0.53) MAPK14ALDH1A1HPGDKDM4ENPSR1
SCHEMBL3521534 0.75 MAPK14 (0.67) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL3521682 0.74 MAPK14 (0.52) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL3521685 0.74 MAPK14 (0.52) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL3521113 0.73 MAPK14 (0.58) MAPK14ALDH1A1HPGDKDM4ENPSR1

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 38/4885STAT6 143/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885STAT6 557/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885STAT6 143/4885ALDH1A1 874/4885

“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.