SCHEMBL17627064

SCHEMBL17627064

Nc1ncn(C(=O)NCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.51
ADORA2A P29274 5/20 0.50
ADORA1 P30542 4/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
P2RX4 Q99571 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 1/20 0.43
MMP13 P45452 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL1260046 0.71 ASAH1 (0.48) ASAH1P2RX4TSHRBCHELIPG
SCHEMBL11027751 0.69 ASAH1 (0.46) ASAH1KMT2AP2RX4TSHRBCHE
SCHEMBL29795580 0.68 ASAH1 (1.00) ASAH1ADORA2AADORA1KMT2AHSD17B10
SCHEMBL23455649 0.67 SMN1; SMN2 (0.54) ASAH1P2RX4BCHELIPGSMN1; SMN2
SCHEMBL81511 0.66 CYP2C19 (0.64) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL4060965 0.66 KMT2A (0.53) KMT2AL3MBTL1
SCHEMBL27866 0.65 CYP2D6 (0.80) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL714625 0.65 EPHX1 (0.77) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3056874 0.65 KMT2A (0.71) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5800630 0.65 KDM4E (0.69) KMT2ATSHRLMNASMN1; 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 4 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
CN-105392365-A Heterocyclic compounds known and new as pest control agents BAYER CROPSCIENCE AG 2016-03-09 CN 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 ASAH1 2010/4885ADORA2A 4387/4885ADORA1 4680/4885

“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.