SCHEMBL3522756

SCHEMBL3522756

O=c1c(Br)c(OCc2ccc(F)cc2)ncn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
MAPT P10636 2/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL3519980 0.93 MAPT (0.50) MAPK14MAPTROCK2ROCK1TP53
SCHEMBL3519640 0.90 MAPK14 (0.56) MAPK14MAPTROCK2ROCK1LMNA
SCHEMBL3521534 0.88 MAPK14 (0.67) MAPK14MAPTROCK2ROCK1LMNA
SCHEMBL3522112 0.88 MAPK14 (0.50) MAPK14MAPTLMNAALDH1A1KDM4E
SCHEMBL3518444 0.85 MAPK14 (0.55) MAPK14SMN1; SMN2MAOBMEN1POLB
SCHEMBL3521867 0.85 MAPK14 (0.53) MAPK14MAPTLMNAALDH1A1KDM4E
SCHEMBL3522839 0.84 MAPK14 (0.57) MAPK14MAPTLMNAALDH1A1KDM4E
SCHEMBL3524029 0.84 MAPK14 (0.50) MAPK14ALDH1A1KDM4ESMN1; SMN2MMP13
SCHEMBL3518434 0.83 MAPK14 (0.55) MAPK14MAPTROCK2ROCK1LMNA
Trifluoroacetic Acid SCHEMBL3524783 0.83 MAPK14 (0.48) MAPK14MAPTTP53ALDH1A1SMN1; 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 38/4885MAPT 2576/4885ROCK2 443/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPT 3038/4885ROCK2 409/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPT 2576/4885ROCK2 443/4885

“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.