SCHEMBL20665100

SCHEMBL20665100

CC(C)n1cnc2nc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CDK2 P24941 8/20 0.35
CCNA2 P20248 7/20 0.35
CCNA1 P78396 7/20 0.35
CDK5 Q00535 6/20 0.35
DYRK1A Q13627 6/20 0.35
CDK5R1 Q15078 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 4/20 0.34
PRPS1 P60891 1/20 0.34
CDK1 P06493 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNB1 P14635 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
SCHEMBL20665101 0.81 SLC2A1 (0.37) PRPS1
SCHEMBL29492199 0.76 PRPS1 (0.41) DYRK1ASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23529932 0.76 PRPS1 (0.41) DYRK1ASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL28234962 0.75 ADORA2A (0.38) HCAR3ADORA2AADORA1CDK2CCNA2
SCHEMBL21733156 0.71 PRPS1 (0.44) ADORA2ACDK2SMN1; SMN2RAB9ANPC1
SCHEMBL7726895 0.71 CDK2 (0.41) HCAR3ADORA2AADORA1CDK2CCNA2
SCHEMBL1106477 0.70 HIF1A (0.45) HCAR3ADORA2AADORA1CDK2CCNA2
SCHEMBL30592371 0.69 HCAR3 (0.34) HCAR3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL22210507 0.68 USP5 (0.34) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL20665086 0.68 HCAR3 (0.58) HCAR3SMN1; SMN2RAB9ANPC1KDM4E

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-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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 (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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 HCAR3 262/4885ADORA2A 1312/4885ADORA1 427/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 HCAR3 262/4885ADORA2A 1312/4885ADORA1 427/4885

“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.