SCHEMBL3524646

SCHEMBL3524646

COC1=CCN(c2ncn(Cc3cccc(F)c3)c(=O)c2Br)C=N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK14 Q16539 2/20 0.43
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
PDE1C Q14123 2/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
THRB P10828 1/20 0.37
PDPK1 O15530 1/20 0.36
P2RX7 Q99572 2/20 0.36

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
SCHEMBL3524648 0.78 HPGD (0.46) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3526877 0.73 HPGD (0.57) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3517699 0.71 MAPK14 (0.50) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3524971 0.71 MAPK14 (0.53) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3521113 0.70 MAPK14 (0.58) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3525282 0.70 MAPK14 (0.56) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3526940 0.70 HPGD (0.56) KDM4EHPGDNPSR1MAPK14ROCK2
SCHEMBL3523536 0.70 MAPK14 (0.56) KDM4EHPGDNPSR1MAPK14MAPT
SCHEMBL3521262 0.69 GPR119 (0.45) MAPK14MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3524830 0.69 MAPK14 (0.47) KDM4EHPGDNPSR1MAPK14MAPT

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 KDM4E 3806/4885HPGD 418/4885NPSR1 1447/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KDM4E 3935/4885HPGD 442/4885NPSR1 1882/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KDM4E 3806/4885HPGD 418/4885NPSR1 1447/4885

“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.