SCHEMBL12410544

SCHEMBL12410544

CC(=O)Nc1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
RIPK2 O43353 3/20 0.44
MAP3K5 Q99683 2/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
CYP17A1 P05093 3/20 0.41
TGFBR1 P36897 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KARS1 Q15046 1/20 0.39

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
SCHEMBL12410572 0.86 RIPK2 (0.40) CYP1A2RIPK2MAP3K5TGFBR1MKNK1
SCHEMBL12410410 0.85 MAP3K5 (0.42) RIPK2MAP3K5MKNK1
SCHEMBL1556306 0.82 RIPK2 (0.44) RIPK2TGFBR1ADORA2AADORA1MKNK1
SCHEMBL253332 0.82 SCN9A (0.44) RIPK2TGFBR1ADORA2AADORA1MKNK1
SCHEMBL252527 0.81 RIPK2 (0.41) RIPK2MAP3K5PIK3CAPIK3CGADORA2A
SCHEMBL10182269 0.80 MKNK1 (0.41) RIPK2ADORA2AADORA1MKNK1KARS1
SCHEMBL15935490 0.80 RIPK2 (0.41) RIPK2MAP3K5PIK3CAPIK3CGADORA2A
SCHEMBL12500128 0.79 RIPK2 (0.40) RIPK2PIK3CAPIK3CGADORA2AADORA1
SCHEMBL12410520 0.79 RIPK2 (0.40) RIPK2PIK3CAPIK3CGADORA2AADORA1
SCHEMBL28668115 0.78 LMNA (0.49) RIPK2CYP17A1CNR1NTRK1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 WO 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 (2 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CYP1A2 75/4885RIPK2 1635/4885MAP3K5 4143/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE CYP1A2 75/4885RIPK2 1635/4885MAP3K5 4143/4885

“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.