SCHEMBL19666465

SCHEMBL19666465

CC1(Nc2ncc([N+](=O)[O-])c(NC3CCC(C(N)=O)CC3)n2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.46
▸ MAPK9 P45984 3/20 0.46
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ SYK P43405 8/20 0.39
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ MAPK6 Q16659 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 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
SCHEMBL19666464 1.00 MAPK8 (0.46) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL29717653 1.00 MAPK8 (0.46) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666520 0.94 MAPK8 (0.51) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666519 0.94 MAPK8 (0.51) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666665 0.92 MAPK8 (0.47) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666664 0.92 MAPK8 (0.47) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666423 0.92 MAPK8 (0.47) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666420 0.92 MAPK8 (0.47) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL29717706 0.91 GSK3B (0.45) MAPK8MAPK9GSK3AGSK3BSYK
SCHEMBL19666359 0.89 SYK (0.41) MAPK8MAPK9GSK3AGSK3BSYK

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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 — — US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 — — 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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3A 2381/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3A 2381/4885

“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.

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