SCHEMBL21712596

SCHEMBL21712596

CC(C)C(N)c1nc2cc(-c3ccnnc3)sc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 9/20 0.50
▸ DBF4 Q9UBU7 9/20 0.50
▸ ROCK1 Q13464 7/20 0.41
▸ RAB9A P51151 6/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCNE1 P24864 4/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ AAK1 Q2M2I8 2/20 0.36
▸ PRKCI P41743 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL21712594 1.00 CDC7 (0.50) CDC7DBF4ROCK1RAB9AKDM4E
Hydrochloric Acid SCHEMBL21712606 0.99 CDC7 (0.49) CDC7DBF4ROCK1RAB9AKDM4E
Hydrochloric Acid SCHEMBL20572289 0.99 CDC7 (0.49) CDC7DBF4ROCK1RAB9AKDM4E
SCHEMBL21712603 0.84 CDC7 (0.51) CDC7DBF4ROCK1RAB9AKDM4E
SCHEMBL21712602 0.84 CDC7 (0.51) CDC7DBF4ROCK1RAB9AKDM4E
Hydrochloric Acid SCHEMBL21712615 0.84 CDC7 (0.50) CDC7DBF4ROCK1RAB9AKDM4E
SCHEMBL21712646 0.84 CDC7 (0.47) CDC7DBF4ROCK1RAB9AKDM4E
SCHEMBL21712647 0.84 CDC7 (0.47) CDC7DBF4ROCK1RAB9AKDM4E
Hydrochloric Acid SCHEMBL21712614 0.84 CDC7 (0.50) CDC7DBF4ROCK1RAB9AKDM4E
SCHEMBL28457194 0.83 CDC7 (0.47) CDC7DBF4ROCK1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents ZENJI RESEARCH LABORATORIES (CN) 2020-08-18 — — US claimed
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZENJI RESEARCH LABORATORIES (CN) 2020-02-20 — — US claimed

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-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS CDC7, CDK7, CDK17 CDC7 1/4885DBF4 1421/4885ROCK1 1409/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 CDC7 1/4885DBF4 1421/4885ROCK1 1409/4885

“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.

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