SCHEMBL3661330

SCHEMBL3661330

NC(=O)c1cccc(-c2cncnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.52
CCND1 P24385 1/20 0.52
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
MNAT1 P51948 1/20 0.52
CDK6 Q00534 1/20 0.52
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
KMO O15229 1/20 0.51
AR P10275 1/20 0.51
KAT6A Q92794 1/20 0.51
ERN1 O75460 1/20 0.50
PARP1 P09874 4/20 0.48
ABL1 P00519 3/20 0.48
PIM1 P11309 2/20 0.48
VNN1 O95497 1/20 0.48
CDC7 O00311 1/20 0.48

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
SCHEMBL2431097 0.84 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL31422694 0.84 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL608617 0.84 KMO (0.73) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL941437 0.84 KMO (0.72) KMOARKAT6AERN1ABL1
Hydrochloric Acid SCHEMBL30037096 0.83 KMO (0.71) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL6999225 0.82 DHODH (0.63) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL17742694 0.82 MKNK2 (0.55) CDK8CDK7MKNK1MKNK2KMO
SCHEMBL29724745 0.81 CCNT1 (0.58) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL14936808 0.81 CCNT1 (0.58) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL30860478 0.80 FYN (0.57) CCNT1CCND1CCNCCDK8CDK7

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
CN-106243088-B Substituted diethylenediamine compound and its application method and purposes 广东东阳光药业有限公司 2019-01-04 CN disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CCNT1 63/4885CCND1 504/4885CCNC 1024/4885

“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.