SCHEMBL19665548

SCHEMBL19665548

CC1(Nc2ncc([N+](=O)[O-])c(NC3CCN(C(=O)O)CC3)n2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.43
▸ GSK3A P49840 6/20 0.43
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL19665599 0.98 GSK3B (0.43) GSK3BGSK3AMAPK8MAPK9HDAC3
SCHEMBL20516524 0.93 GSK3A (0.41) GSK3BGSK3AMAPK8MAPK9EGFR
SCHEMBL19665709 0.87 GPR119 (0.42) GSK3BGSK3AMAPK8MAPK9BTK
SCHEMBL28644748 0.86 GPR119 (0.42) GSK3BGSK3AMAPK8MAPK9BTK
SCHEMBL29802579 0.86 GPR119 (0.42) GSK3BGSK3AMAPK8MAPK9BTK
SCHEMBL19665589 0.84 MAPK8 (0.45) MAPK8MAPK9HDAC3HDAC1HDAC2
SCHEMBL19666420 0.83 MAPK8 (0.47) GSK3BGSK3AMAPK8MAPK9HDAC3
SCHEMBL19666423 0.83 MAPK8 (0.47) GSK3BGSK3AMAPK8MAPK9HDAC3
SCHEMBL19665618 0.82 GSK3B (0.45) GSK3BGSK3AMAPK8MAPK9EGFR
SCHEMBL19665757 0.82 MAPK8 (0.45) MAPK8MAPK9HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 — — EP disclosed
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-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 — — US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 — — US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL 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 (7 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 GSK3B 2206/4885GSK3A 2053/4885MAPK8 3431/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS GSK3B 1744/4885GSK3A 1636/4885MAPK8 3532/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GSK3B 2275/4885GSK3A 2117/4885MAPK8 3423/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GSK3B 2206/4885GSK3A 2053/4885MAPK8 3431/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS GSK3B 1744/4885GSK3A 1636/4885MAPK8 3532/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GSK3B 2206/4885GSK3A 2053/4885MAPK8 3431/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP GSK3B 2206/4885GSK3A 2053/4885MAPK8 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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