SCHEMBL19666589

SCHEMBL19666589

CC1(Nc2ncc([N+](=O)[O-])c(N[C@H]3CC[C@H](C(=O)N4CCCCC4)CC3)n2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.43
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ JUN P05412 1/20 0.39
▸ CDK2 P24941 5/20 0.38
▸ CCNE1 P24864 4/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ AXL P30530 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL19666587 1.00 SYK (0.43) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL19666495 0.95 SYK (0.46) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL19666500 0.95 SYK (0.46) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL29717706 0.87 GSK3B (0.45) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL19666465 0.87 MAPK8 (0.46) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL29717653 0.87 MAPK8 (0.46) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL19666464 0.87 MAPK8 (0.46) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL20516524 0.86 GSK3A (0.41) SYKGSK3AGSK3BMAPK8MAPK9
SCHEMBL19666517 0.86 SYK (0.47) SYKMAPK8MAPK9MAPK10JUN
SCHEMBL19666518 0.86 SYK (0.47) SYKMAPK8MAPK9MAPK10JUN

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 SYK 4069/4885GSK3A 2381/4885GSK3B 2302/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC SYK 4069/4885GSK3A 2381/4885GSK3B 2302/4885

“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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