SCHEMBL17627092

SCHEMBL17627092

CCOC(=O)c1nn(-c2ccccn2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.50
HTT P42858 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
SLC11A2 P49281 1/20 0.46
CASP1 P29466 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
BRD4 O60885 1/20 0.45
LMNA P02545 3/20 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
SCHEMBL18591511 0.87 HPGD (0.55) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL26659429 0.83 BRD4 (0.46) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL28972277 0.80 KDM4E (0.63) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL17627049 0.80 P2RX7 (0.47) ALDH1A1TP53KDM4EMAPTGAA
SCHEMBL25415963 0.77 FAAH (0.53) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL16827651 0.77 HPGD (0.56) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL5803621 0.77 NPC1 (0.52) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL18611566 0.77 NPSR1 (0.46) ALDH1A1MAPTGAANPSR1LMNA
SCHEMBL4700631 0.75 HPGD (0.67) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL1077879 0.75 HPGD (0.50) ALDH1A1HPGDNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-2999338-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH ALDH1A1 2634/4885HPGD 627/4885NPC1 3893/4885

“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.