SCHEMBL6599436

SCHEMBL6599436

COc1ccc(-c2nccn2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DYRK1A Q13627 2/20 0.46
TNK2 Q07912 1/20 0.45
MAPT P10636 3/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL27556606 0.81 TNKS (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL14675684 0.80 CLK4 (0.48) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL5650614 0.79 CLK4 (0.47) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL28851885 0.79 CLK4 (0.47) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL6600060 0.78 CCNB2 (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28747737 0.77 CLK4 (0.46) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11771718 0.77 KDR (0.49) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL6440778 0.75 KMT2A (0.50) CLK4ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL11026854 0.75 CYP2C19 (0.47) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10981149 0.75 ADRA2A (0.56) CLK4ALDH1A1KDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US claimed
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP claimed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO claimed
US-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP disclosed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO disclosed
US-4956470-A BACTERICIDES, FUNGICIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4814332-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1989-03-21 US disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP 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 (1 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-20040248958-A1 Heterocyclic amide derivatives DDT, CYP2E1, CYP1A1 CLK4 4759/4885ALDH1A1 116/4885KDM4E 1089/4885

“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.