SCHEMBL26232177

SCHEMBL26232177

Cc1nc2[nH]cc(C=O)c2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.41
PARP1 P09874 6/20 0.40
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IP6K1 Q92551 1/20 0.34

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
SCHEMBL26232249 0.80 KMT2A (0.35) TYMSKMT2AGRIA1GRIA2GRIA3
SCHEMBL7851196 0.77 TYMS (0.48) TYMSPARP1MAPK1TNKS2ALDH1A1
SCHEMBL26232174 0.73 CHUK (0.49)
SCHEMBL13215451 0.71 PDK2 (0.43) KMT2AALDH1A1
SCHEMBL7842455 0.70 PARP1 (0.36) TYMSPARP1MAPK1TNKS2ALDH1A1
SCHEMBL22423037 0.69 MAPK1 (0.38) TYMSPARP1MAPK1TNKS2PARP15
SCHEMBL17652009 0.68 KMT2A (0.35) TYMSKMT2AALDH1A1
SCHEMBL22788995 0.67 CHUK (0.38) KMT2A
SCHEMBL12655167 0.67 KMT2A (0.41) KMT2A
SCHEMBL6311633 0.67 CHUK (0.41) KMT2A

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-20230295165-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) 2023-09-21 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

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-20230295165-A1 COMPOUNDS NR3C1, NR3C2, CBR3 TYMS 4575/4885PARP1 3428/4885MAPK1 2410/4885
US-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 TYMS 4374/4885PARP1 1272/4885MAPK1 870/4885

“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.