SCHEMBL3525336

SCHEMBL3525336

Nc1cc(=O)n(Cc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.51
▸ PNP P00491 2/20 0.49
▸ MAPK14 Q16539 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ TNF P01375 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 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
SCHEMBL19468944 0.84 ADORA2A (0.50) ADORA2APKMHTR1AHTR7
SCHEMBL29044749 0.80 KDM4C (0.48) ADORA2APNPMAPK14TNFCYP11B1
SCHEMBL27663449 0.80 MAPK14 (0.48) ADORA2APNPMAPK14TNFCYP11B1
SCHEMBL3523300 0.80 GAA (0.50) ADORA2AMAPK14TNFCYP11B1CYP11B2
SCHEMBL1529051 0.76 YTHDC1 (0.46) MAPK14TNFCYP11B1CYP11B2LMNA
SCHEMBL11788419 0.76 PKM (0.45) ADORA2AMAPK14TNFCYP11B1CYP11B2
SCHEMBL3521393 0.76 MAPK14 (0.58) ADORA2AMAPK14TNFCYP11B1CYP11B2
SCHEMBL3519184 0.75 MAPK14 (0.50) ADORA2AMAPK14TNFCYP11B1CYP11B2
SCHEMBL3518913 0.75 ABL1 (0.51) ADORA2AMAPK14TNFCYP11B1CYP11B2
SCHEMBL28836786 0.74 ADORA2A (0.58) ADORA2AMAPK14GRK2

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 ADORA2A 838/4885PNP 175/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ADORA2A 1402/4885PNP 202/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ADORA2A 838/4885PNP 175/4885MAPK14 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.

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