SCHEMBL7608494

SCHEMBL7608494

CCC(CCc1ccncc1)Nc1nc(Cl)nc(SC)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
CCNA2 P20248 2/20 0.30
CCNA1 P78396 2/20 0.30

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
SCHEMBL7619327 0.89 CDK2 (0.36) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7954605 0.85 GAA (0.34) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL7607346 0.84 CDK2 (0.34) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7606348 0.81 PTGDR (0.33) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7673044 0.80 CDK2 (0.34) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7615508 0.80 IDH1 (0.34) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7613488 0.79 ALDH1A1 (0.33) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7610838 0.79 CDK1 (0.32) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7615960 0.79 CDK1 (0.32) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL7613522 0.76 MEN1 (0.47) CDK2CDK1CDK4CCNB1CCND1

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
US-6403794-B2 REACTING A BIGUANIDINE WITH AN ALKOXYCARBONYL, OR A SUBSTITUTED TRIAZINE WITH AMMONIA OR AN ALKYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 US disclosed
US-6346503-B1 PRE- AND POSTEMERGENCE HERBICIDES FOR CROPS LIKE CORN, WHEAT, AND COTTON BAYER AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
US-20020016459-A1 Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides RIEBEL HANS-JOCHEM (DE) 2002-02-07 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-20020016459-A1 Substituted 2-amino-4-alkylamino-1,3,5-triazines as herbicides AHR, DDT, CYP1A1 CDK2 1242/4885CDK1 1934/4885CDK4 968/4885

“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.