SCHEMBL12410403

SCHEMBL12410403

Cc1cc(C)n(-c2cccc(-c3cnn(-c4cccnc4)c3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MKNK1 Q9BUB5 6/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
RIPK2 O43353 2/20 0.39
GRM4 Q14833 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2A6 P11509 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.36
TGFBR1 P36897 1/20 0.35
ADORA2B P29275 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNK O75909 1/20 0.35

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
SCHEMBL12410517 0.82 NPC1 (0.49) MAPTMKNK1ADORA2AADORA1RIPK2
SCHEMBL12410521 0.81 MKNK1 (0.43) MAPTMKNK1ADORA2AADORA1RIPK2
SCHEMBL12410469 0.80 MKNK1 (0.41) MAPTMKNK1ADORA2AADORA1RIPK2
SCHEMBL12410402 0.77 KDM4E (0.41) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL12410392 0.76 ADORA2A (0.40) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL12410485 0.75 MKNK1 (0.38) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL12410406 0.74 CYP2A6 (0.42) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL12410399 0.74 MKNK1 (0.44) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL251938 0.74 ASIC3 (0.42) MKNK1ADORA2AADORA1RIPK2GRM4
SCHEMBL12410569 0.74 CYP2A6 (0.42) MAPTMKNK1ADORA2AADORA1RIPK2

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 8 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
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP 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 MAPT 4086/4885MKNK1 2220/4885ADORA2A 3858/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MAPT 4086/4885MKNK1 2220/4885ADORA2A 3858/4885

“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.