SCHEMBL7726895

SCHEMBL7726895

CC(C)n1cnc2ccc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.41
CCNA2 P20248 9/20 0.41
CCNA1 P78396 8/20 0.41
CDK5 Q00535 8/20 0.41
CDK5R1 Q15078 8/20 0.41
DYRK1A Q13627 7/20 0.41
CDK1 P06493 5/20 0.40
CCNB1 P14635 3/20 0.40
CCNE1 P24864 3/20 0.40
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HCAR3 P49019 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
CCNT1 O60563 1/20 0.35

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
SCHEMBL31425514 0.82 CDK2 (0.47) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL16884031 0.80 CDK2 (0.41) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL23068035 0.79 CDK1 (0.40) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL29788750 0.79 CDK1 (0.40) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL17807786 0.79 CDK1 (0.40) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL20251105 0.77 CDK1 (0.39) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL7721294 0.76 PDE10A (0.44) CDK2CDK1CCNB1CCNE1TDP1
SCHEMBL30960739 0.76 MEN1 (0.40) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL30168571 0.76 DYRK1A (0.50) DYRK1ACDK1ADORA2AADORA1
SCHEMBL6770226 0.76 DYRK1A (0.50) DYRK1ACDK1ADORA2AADORA1

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 6 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
WO-2017121674-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 CDK2 463/4885CCNA2 697/4885CCNA1 137/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 CDK2 463/4885CCNA2 697/4885CCNA1 137/4885

“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.