SCHEMBL20100096

SCHEMBL20100096

CCSc1c(-c2nc3cc(C)ncc3n2C)nc2ccccn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
KDM4E B2RXH2 6/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL18131807 0.87 HSD17B10 (0.33) DPP4KDM4ENPSR1HSD17B10ALDH1A1
SCHEMBL20100095 0.81 NPC1 (0.47) DPP4KDM4ENPSR1HSD17B10ALDH1A1
SCHEMBL20100093 0.80 KDM4E (0.36) DPP4KDM4ENPSR1HSD17B10ALDH1A1
SCHEMBL21698367 0.79 PDE10A (0.32) DPP4KDM4ENPSR1HSD17B10ALDH1A1
SCHEMBL19712018 0.74 L3MBTL1 (0.32) LMNA
SCHEMBL19711924 0.74 TRPA1 (0.34) POLB
SCHEMBL18920833 0.73 IDE (0.31) MAPTGAA
SCHEMBL19762756 0.71 MEN1 (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL19767671 0.71 MAPT (0.30) MAPT
SCHEMBL21782808 0.70 ALDH1A1 (0.36) DPP4KDM4ENPSR1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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 (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-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS DPP4 2187/4885KDM4E 1838/4885NPSR1 799/4885

“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.