SCHEMBL6695210

SCHEMBL6695210

Cc1ccc(NC(=O)Nc2ncc(C(C)N=C(N)N)s2)c(OCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
CDK5 Q00535 4/20 0.39
LPAR1 Q92633 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
EP300 Q09472 2/20 0.35
MYC P01106 2/20 0.35
MAX P61244 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CCNT1 O60563 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34

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
SCHEMBL1341940 0.84 FFAR2 (0.44) CCNE1CDK2CDK5LPAR1SMN1; SMN2
SCHEMBL1343187 0.82 LPAR1 (0.39) LPAR1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL1343072 0.81 IDH2 (0.47) LPAR1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL1342982 0.81 FBP1 (0.48) LPAR1SMN1; SMN2
SCHEMBL1343242 0.81 LPAR1 (0.37) LPAR1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL1342455 0.81 FFAR2 (0.43) CCNE1CDK2CDK5LPAR1EP300
SCHEMBL1343714 0.80 LPAR1 (0.38) LPAR1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL2661997 0.80 ALDH1A1 (0.36) CCNE1CDK2CDK5LPAR1SMN1; SMN2
SCHEMBL1343463 0.80 TP53 (0.46) CCNE1CDK2CDK5LPAR1SMN1; SMN2
SCHEMBL6695225 0.79 AURKA (0.39) CDK2LPAR1

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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 CCNE1 4257/4885CDK2 1019/4885CDK5 1122/4885

“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.