SCHEMBL24377971

SCHEMBL24377971

NC(=O)C1CN(C(=O)CCl)c2cc(-c3cncnc3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 15/20 0.43
SIRT2 Q8IXJ6 12/20 0.40
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL26938816 0.90 BRD4 (0.43) SIRT1BRD4POLBGRM2
SCHEMBL24378019 0.86 SIRT1 (0.48) SIRT1SIRT2POLBSIRT3
SCHEMBL24377972 0.84 BRD4 (0.42) SIRT1SIRT2BRD4SIRT3
SCHEMBL24378122 0.79 TP53 (0.49) SIRT1POLB
SCHEMBL29516214 0.79 SIRT1 (0.49) SIRT1SIRT2POLBSIRT3
SCHEMBL29516124 0.79 TP53 (0.49) SIRT1POLB
SCHEMBL24377993 0.79 SIRT1 (0.49) SIRT1SIRT2POLBSIRT3
SCHEMBL24377969 0.79 SIRT1 (0.50) SIRT1SIRT2POLBSIRT3
SCHEMBL24378125 0.77 SIRT1 (0.65) SIRT1SIRT2SIRT3
SCHEMBL24378118 0.77 SIRT1 (0.65) SIRT1SIRT2SIRT3

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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 SIRT1 935/4885SIRT2 1211/4885BRD4 1868/4885

“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.