SCHEMBL19666385

SCHEMBL19666385

CC1(Nc2ncc([N+](=O)[O-])c(NC3CC[CH]CC3)n2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.41
▸ GSK3A P49840 3/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ CDK2 P24941 1/20 0.37
▸ MAPK1 P28482 4/20 0.36
▸ PRKCQ Q04759 7/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 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
SCHEMBL19666410 0.86 GSK3A (0.43) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL19666409 0.86 GSK3A (0.43) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL29717706 0.86 GSK3B (0.45) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL19666464 0.85 MAPK8 (0.46) GSK3BGSK3AMAPK8MAPK9CDK2
SCHEMBL19666465 0.85 MAPK8 (0.46) GSK3BGSK3AMAPK8MAPK9CDK2
SCHEMBL29717653 0.85 MAPK8 (0.46) GSK3BGSK3AMAPK8MAPK9CDK2
SCHEMBL20516524 0.84 GSK3A (0.41) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL19666358 0.84 SYK (0.41) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL19666359 0.84 SYK (0.41) GSK3BGSK3AMAPK8MAPK9MAPK1
SCHEMBL19666500 0.83 SYK (0.46) GSK3BGSK3AMAPK8MAPK9CDK2

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 GSK3B 2302/4885GSK3A 2381/4885MAPK8 1870/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC GSK3B 2302/4885GSK3A 2381/4885MAPK8 1870/4885

“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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