SCHEMBL2632955

SCHEMBL2632955

COC(=O)c1cnc2[nH]ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.50
AXL P30530 6/20 0.47
MAP2K1 Q02750 1/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
PRKCI P41743 1/20 0.45
JAK3 P52333 8/20 0.45
JAK1 P23458 7/20 0.45
CDK8 P49336 1/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL31403755 1.00 NUDT1 (0.50) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL1082037 0.84 AXL (0.47) NUDT1AXLMAP2K1PRKCIJAK3
SCHEMBL31403683 0.83 JAK3 (0.46) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL21632535 0.83 JAK3 (0.46) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL29656385 0.83 TTBK1 (0.48) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL25280494 0.83 AXL (0.46) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL30985188 0.83 AXL (0.55) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL2115690 0.83 AXL (0.55) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL28798529 0.83 TTBK1 (0.48) NUDT1AXLMAP2K1TTBK1TTBK2
SCHEMBL24495812 0.83 JAK2 (0.53) NUDT1AXLPRKCIJAK3JAK1

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
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
US-20120095016-A1 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS HELICON THERAPEUTICS, INC. (US) 2012-04-19 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 (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-20120095016-A1 THERAPEUTIC 5,6,5-TRICYCLIC ANALOGS GABRA5, GABRA6, GABRB1 NUDT1 4256/4885AXL 4156/4885MAP2K1 4682/4885

“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.