SCHEMBL12410503

SCHEMBL12410503

Cc1nc(-c2cccc(-c3cnn(-c4cccnc4)c3)n2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.40
RIPK2 O43353 2/20 0.40
MKNK1 Q9BUB5 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
CYP2A6 P11509 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL12410510 0.84 HDAC6 (0.46) SMN1; SMN2TP53NPC1TSHRRAB9A
SCHEMBL12410484 0.83 PPARA (0.49) RIPK2MKNK1L3MBTL1SMN1; SMN2TP53
SCHEMBL1554591 0.82 GRM5 (0.46) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL1555801 0.81 FAAH (0.45) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL1555774 0.78 PPARA (0.46) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL12410521 0.78 MKNK1 (0.43) GRM4RIPK2MKNK1L3MBTL1CYP2A6
SCHEMBL1555644 0.77 MKNK1 (0.40) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL12410509 0.76 GRM4 (0.41) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL12410490 0.76 MKNK1 (0.41) GRM4RIPK2MKNK1CYP2A6ADORA2A
SCHEMBL251938 0.75 ASIC3 (0.42) GRM4RIPK2MKNK1CYP2A6ADORA2A

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 6 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

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 GRM4 1196/4885RIPK2 1635/4885MKNK1 2220/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE GRM4 1196/4885RIPK2 1635/4885MKNK1 2220/4885

“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.