SCHEMBL3522684

SCHEMBL3522684

O=c1c(Br)c(OCc2ccccc2)ncn1Cc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPK14 Q16539 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
P2RX7 Q99572 2/20 0.40
PTGER1 P34995 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
DAPK1 P53355 1/20 0.38
NPBWR1 P48145 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HTT P42858 1/20 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
SCHEMBL3521359 0.91 MAPK14 (0.44) ALDH1A1MAPK1MAPK14KDM4EATM
SCHEMBL3526903 0.85 ALDH1A1 (0.48) ALDH1A1MAPK14KDM4EDAPK1SMN1; SMN2
SCHEMBL3518955 0.84 MAPK14 (0.53) ALDH1A1MAPK14KDM4ETDP1DAPK1
SCHEMBL3524527 0.83 MAPK14 (0.60) ALDH1A1MAPK14KDM4EDAPK1CNR2
SCHEMBL3524029 0.83 MAPK14 (0.50) ALDH1A1MAPK14KDM4EDAPK1SMN1; SMN2
SCHEMBL3521512 0.83 MAPK14 (0.46) ALDH1A1MAPK14DAPK1CNR2SMN1; SMN2
SCHEMBL3519980 0.81 MAPT (0.50) ALDH1A1MAPK14KDM4EATMSMN1; SMN2
SCHEMBL4390002 0.81 MAPK14 (0.70) ALDH1A1MAPK1MAPK14KDM4EATM
SCHEMBL3520768 0.80 TP53 (0.45) ALDH1A1MAPK14DAPK1NPBWR1SMN1; SMN2
SCHEMBL3521060 0.80 MAPK14 (0.49) ALDH1A1MAPK14DAPK1SMN1; 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 ALDH1A1 874/4885MAPK1 1/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ALDH1A1 550/4885MAPK1 1/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ALDH1A1 874/4885MAPK1 1/4885MAPK14 38/4885

“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.