SCHEMBL24233247

SCHEMBL24233247

CO/N=C/c1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.39
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL25387395 1.00 TYMS (0.39) TYMSDYRK1AKDM4EALDH1A1LMNA
SCHEMBL25388812 0.81 TYMS (0.41) TYMSDYRK1A
SCHEMBL24233231 0.81 TYMS (0.41) TYMSDYRK1A
SCHEMBL25390380 0.76 TYMS (0.43) TYMS
SCHEMBL25390339 0.74 MAPT (0.33) KDM4EALDH1A1LMNAGLA
SCHEMBL12820951 0.72 DYRK1A (0.46) TYMSDYRK1A
SCHEMBL18520454 0.71 DYRK1A (0.47) TYMSDYRK1AKDM4EALDH1A1LMNA
SCHEMBL21161374 0.70 TYMS (0.49) TYMS
SCHEMBL24704369 0.69 DYRK1A (0.46) TYMSDYRK1AKDM4EALDH1A1LMNA
SCHEMBL12884842 0.69 TYMS (0.46) TYMSDYRK1AKDM4EALDH1A1LMNA

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-20230286987-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2023-09-14 US disclosed
US-20230286987-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2023-09-14 US disclosed
WO-2022023433-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2022-02-03 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-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 TYMS 4374/4885DYRK1A 1006/4885KDM4E 709/4885

“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.