SCHEMBL24377972

SCHEMBL24377972

Cn1cc(-c2ccc3c(c2)N(C(=O)CCl)CC(C(N)=O)O3)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
SIRT1 Q96EB6 5/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
SIRT3 Q9NTG7 1/20 0.36
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IDH1 O75874 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36

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
SCHEMBL26938814 0.92 BRD4 (0.44) BRD4PIM1PIM2MKNK1MKNK2
SCHEMBL24377971 0.84 SIRT1 (0.43) BRD4SIRT1SIRT3SIRT2
SCHEMBL24378019 0.84 SIRT1 (0.48) SIRT1SIRT3SIRT2
SCHEMBL24378122 0.79 TP53 (0.49) SIRT1
SCHEMBL29516124 0.79 TP53 (0.49) SIRT1
SCHEMBL26938816 0.77 BRD4 (0.43) BRD4SIRT1IDH1
SCHEMBL29516214 0.77 SIRT1 (0.49) SIRT1SIRT3SIRT2
SCHEMBL24377993 0.77 SIRT1 (0.49) SIRT1SIRT3SIRT2
SCHEMBL24377969 0.76 SIRT1 (0.50) SIRT1SIRT3SIRT2
SCHEMBL26938749 0.76 POLB (0.44) BRD4SIRT1

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 BRD4 1868/4885SIRT1 935/4885PIM1 480/4885

“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.