SCHEMBL7606348

SCHEMBL7606348

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.33
PGK1 P00558 1/20 0.33
ITGB1 P05556 6/20 0.33
ITGA4 P13612 6/20 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
CDK2 P24941 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31

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) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7959884 0.85 L3MBTL1 (0.37) PTGDRITGB1ITGA4MAPK1ALDH1A1
SCHEMBL7613522 0.85 MEN1 (0.47) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7607346 0.84 CDK2 (0.34) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7608494 0.81 CDK2 (0.33) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7673044 0.80 CDK2 (0.34) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7615508 0.80 IDH1 (0.34) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7613488 0.79 ALDH1A1 (0.33) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7610838 0.79 CDK1 (0.32) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7615960 0.79 CDK1 (0.32) CDK1CDK4CCNB1CCND1CCNE1

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 5 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
EP-0934284-A1 SUBSTITUTED 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998015537-A1 SUBSTITUTED 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO 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 PTGDR 2471/4885PGK1 3718/4885ITGB1 4290/4885

“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.