SCHEMBL26232174

SCHEMBL26232174

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHUK O15111 6/20 0.49
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
CDC42BPB Q9Y5S2 2/20 0.43
DPYD Q12882 1/20 0.43
HSP90AB1 P08238 5/20 0.42
LRRK2 Q5S007 5/20 0.41
GAA P10253 1/20 0.41
IKBKB O14920 3/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL94358 0.81 CHUK (0.56) CHUKDPYDLRRK2IKBKB
SCHEMBL7842455 0.80 PARP1 (0.36) CHUK
SCHEMBL7851196 0.75 TYMS (0.48) DPYD
SCHEMBL20012256 0.74 ALDH1A1 (0.47) CHUKROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL26232177 0.73 TYMS (0.41)
SCHEMBL7854494 0.72 TYMS (0.43) GAAHSP90AA1
SCHEMBL17652022 0.70 CHUK (0.43) CHUKROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL19992162 0.70 PARP1 (0.64) GAA
SCHEMBL7851328 0.70 DAO (0.33) GAA
SCHEMBL29559852 0.69 MAPK1 (0.39) GAA

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 CHUK 1812/4885ROCK2 2054/4885ROCK1 926/4885
US-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 CHUK 1560/4885ROCK2 1911/4885ROCK1 527/4885

“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.