SCHEMBL19665643

SCHEMBL19665643

O=C(O)N1CCC(CNc2nc(Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2D6 P10635 2/20 0.47
DCLK1 O15075 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
MATK P42679 1/20 0.47
FRK P42685 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
CDK5 Q00535 1/20 0.47
PRKCD Q05655 1/20 0.47

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
SCHEMBL19665663 0.94 PRKCQ (0.46) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL29802912 0.85 BCDIN3D (0.48) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4697043 0.85 BCDIN3D (0.48) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL1784631 0.83 PIN1 (0.48) CDK2GSK3AGSK3BPIN1
SCHEMBL4697429 0.83 PRKCQ (0.54) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL4697428 0.83 PRKCQ (0.54) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL12065102 0.83 PRKCQ (0.53) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL19665620 0.83 PRKCQ (0.58) PRKCQCYP3A4CYP2C9CYP2D6
SCHEMBL19665598 0.81 IDO1 (0.47) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL30456051 0.81 JAK3 (0.52)

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 PRKCQ 2957/4885CYP3A4 577/4885CYP2C9 974/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS PRKCQ 3197/4885CYP3A4 446/4885CYP2C9 589/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2856/4885CYP3A4 617/4885CYP2C9 944/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2957/4885CYP3A4 577/4885CYP2C9 974/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS PRKCQ 3197/4885CYP3A4 446/4885CYP2C9 589/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP PRKCQ 2957/4885CYP3A4 577/4885CYP2C9 974/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP PRKCQ 2957/4885CYP3A4 577/4885CYP2C9 974/4885

“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.