SCHEMBL19666460

SCHEMBL19666460

CC1(Nc2ncc([N+](=O)[O-])c(NC3CC(NC(=O)O)C3)n2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ GSK3B P49841 8/20 0.40
▸ GSK3A P49840 7/20 0.40
▸ AURKA O14965 3/20 0.37
▸ KDR P35968 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ MAPK1 P28482 5/20 0.34
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33

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
SCHEMBL19666672 0.87 MAPK8 (0.39) MAPK8MAPK9GSK3BGSK3AAURKA
SCHEMBL29717706 0.85 GSK3B (0.45) MAPK8MAPK9GSK3BGSK3AAURKA
SCHEMBL19666435 0.84 MAPK8 (0.45) MAPK8MAPK9MAPK1AXLFLT3
SCHEMBL19666670 0.84 MAPK8 (0.37) MAPK8MAPK9GSK3BGSK3AAURKA
SCHEMBL20516524 0.83 GSK3A (0.41) MAPK8MAPK9GSK3BGSK3AKDR
SCHEMBL19666385 0.82 GSK3B (0.41) MAPK8MAPK9GSK3BGSK3AKDR
SCHEMBL29717653 0.82 MAPK8 (0.46) MAPK8MAPK9GSK3BGSK3AKDR
SCHEMBL19666465 0.82 MAPK8 (0.46) MAPK8MAPK9GSK3BGSK3AKDR
SCHEMBL19666464 0.82 MAPK8 (0.46) MAPK8MAPK9GSK3BGSK3AKDR
SCHEMBL19666409 0.81 GSK3A (0.43) MAPK8MAPK9GSK3BGSK3AMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464312-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
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
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO 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 (4 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-20180280399-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3B 2302/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3B 2302/4885
US-10420772-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3B 2302/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC MAPK8 1870/4885MAPK9 2986/4885GSK3B 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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