SCHEMBL3523443

SCHEMBL3523443

O=c1c(Br)c(CCCc2ccccc2)ncn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 3/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
TNF P01375 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
ADORA2B P29275 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3523708 0.92 MAPK14 (0.48) GRK2MAPK14KDM4CTNFCYP11B1
SCHEMBL3522171 0.83 POLB (0.46) GRK2MAPK14KDM4CTNFCYP11B1
SCHEMBL3526494 0.80 MAPK14 (0.49) MAPK14SMN1; SMN2KDM4ELMNAHPGD
SCHEMBL5266389 0.77 MAPK14 (0.50) GRK2MAPK14KDM4CTNFCYP11B1
SCHEMBL3522037 0.77 MAPK14 (0.50) GRK2MAPK14KDM4CTNFCYP11B1
SCHEMBL5266386 0.77 MAPK14 (0.50) GRK2MAPK14KDM4CTNFCYP11B1
SCHEMBL5438450 0.76 GAA (0.42) GRK2MAPK14KDM4CSMN1; SMN2KDM4E
SCHEMBL3521947 0.74 POLB (0.48) GRK2MAPK14TNFCYP11B1CYP11B2
SCHEMBL4489524 0.74 MAPK14 (0.55) MAPK14POLBSMN1; SMN2KDM4ELMNA
SCHEMBL3524527 0.73 MAPK14 (0.60) GRK2MAPK14KDM4CTNFCYP11B1

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 GRK2 86/4885MAPK14 38/4885KDM4C 3381/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 GRK2 77/4885MAPK14 29/4885KDM4C 3814/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GRK2 86/4885MAPK14 38/4885KDM4C 3381/4885

“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.