SCHEMBL3523708

SCHEMBL3523708

O=c1c(Br)c(CCc2ccccc2)ncn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
TNF P01375 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
GRK2 P25098 3/20 0.45
POLB P06746 1/20 0.45
HIF1A Q16665 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL3523443 0.92 GRK2 (0.46) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL3526494 0.87 MAPK14 (0.49) MAPK14ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3521947 0.82 POLB (0.48) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL3522037 0.79 MAPK14 (0.50) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL5266386 0.79 MAPK14 (0.50) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL5266389 0.79 MAPK14 (0.50) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL5438450 0.78 GAA (0.42) MAPK14GRK2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3524527 0.75 MAPK14 (0.60) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL3522171 0.74 POLB (0.46) MAPK14TNFCYP11B1CYP11B2GRK2
SCHEMBL3519801 0.74 ALDH1A1 (0.50) MAPK14TNFCYP11B1CYP11B2GRK2

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 38/4885TNF 91/4885CYP11B1 509/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885TNF 166/4885CYP11B1 269/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885TNF 91/4885CYP11B1 509/4885

“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.