SCHEMBL3525017

SCHEMBL3525017

Cc1nc(OCc2ccccc2C(F)(F)F)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HSD17B13 Q7Z5P4 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 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
SCHEMBL3523251 0.85 MAPT (0.44) P2RX7MAPTHPGDTSHRHSD17B10
SCHEMBL3525586 0.84 MAPK14 (0.47) MAPTHPGDTSHRKDM4EALDH1A1
SCHEMBL3522590 0.80 MAPK14 (0.56)
SCHEMBL4376124 0.80 MAPK14 (0.55) FFAR1FFAR4
SCHEMBL3521359 0.80 MAPK14 (0.44) P2RX7KDM4EATMALDH1A1MAOB
SCHEMBL3523544 0.78 KDM4E (0.51) P2RX7MAPTHPGDHSD17B10KDM4E
SCHEMBL14577968 0.74 MAPK14 (0.60)
SCHEMBL3523253 0.73 MAPT (0.43) MAPTHPGDTSHRKDM4EALDH1A1
SCHEMBL3522684 0.73 ALDH1A1 (0.48) P2RX7KDM4EATMALDH1A1TDP1
SCHEMBL3522646 0.73 MAPT (0.44) MAPTHPGDKDM4EALDH1A1MEN1

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 P2RX7 186/4885MAPT 2576/4885HPGD 418/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 P2RX7 437/4885MAPT 3038/4885HPGD 442/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 P2RX7 186/4885MAPT 2576/4885HPGD 418/4885

“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.