SCHEMBL20516524

SCHEMBL20516524

CC1(Nc2ncc([N+](=O)[O-])c(NC3CCN(C(=O)O)CC3)n2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ SELP P16109 1/20 0.38
▸ TYRO3 Q06418 1/20 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
▸ MAPK1 P28482 6/20 0.37
▸ EGFR P00533 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL19665599 0.93 GSK3B (0.43) GSK3AGSK3BMAPK8MAPK9EGFR
SCHEMBL19665548 0.93 GSK3B (0.43) GSK3AGSK3BMAPK8MAPK9EGFR
SCHEMBL19665684 0.88 GPR119 (0.41) MAPK8MAPK9TYRO3PIK3CAPIK3CG
SCHEMBL19665685 0.87 GSK3A (0.51) GSK3AGSK3BSELPTYRO3MAPK1
SCHEMBL19666500 0.87 SYK (0.46) GSK3AGSK3BMAPK8MAPK9TYRO3
SCHEMBL19666495 0.87 SYK (0.46) GSK3AGSK3BMAPK8MAPK9TYRO3
SCHEMBL29717706 0.87 GSK3B (0.45) GSK3AGSK3BMAPK8MAPK9TYRO3
SCHEMBL19665683 0.86 MAPK8 (0.39) GSK3AGSK3BMAPK8MAPK9SELP
SCHEMBL19666587 0.86 SYK (0.43) GSK3AGSK3BMAPK8MAPK9TYRO3
SCHEMBL19666589 0.86 SYK (0.43) GSK3AGSK3BMAPK8MAPK9TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 — — US disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 — — US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 — — 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 (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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP GSK3A 2053/4885GSK3B 2206/4885MAPK8 3431/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GSK3A 2117/4885GSK3B 2275/4885MAPK8 3423/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GSK3A 2053/4885GSK3B 2206/4885MAPK8 3431/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP GSK3A 2053/4885GSK3B 2206/4885MAPK8 3431/4885

“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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