SCHEMBL20601276

SCHEMBL20601276

CC(C)(C)OC(=O)N1CCC(CC(NC(=O)c2cccnc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
GPR119 Q8TDV5 5/20 0.49
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.45
YAP1 P46937 2/20 0.44
KDM1A O60341 1/20 0.43
GBA1 P04062 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL20601233 0.91 KDM4E (0.66) KDM4EPKMGPR119ALDH1A1YAP1
SCHEMBL20601375 0.88 KDM4E (0.52) KDM4EPKMGPR119YAP1
SCHEMBL20601237 0.87 KDM4E (0.48) KDM4EPKMCCNA2CDK2GPR119
SCHEMBL23088074 0.85 KDM4E (0.50) KDM4EPKMGPR119YAP1
SCHEMBL20601549 0.85 KDM4E (0.59) KDM4EPKMGPR119YAP1
SCHEMBL20601482 0.85 KDM4E (0.59) KDM4EPKMGPR119YAP1
SCHEMBL20618537 0.84 KDM4E (0.56) KDM4EPKMGPR119YAP1ROCK2
SCHEMBL20601409 0.84 KDM4E (0.58) KDM4EPKMYAP1
SCHEMBL20601477 0.84 KDM4E (0.58) KDM4EPKMGPR119ALDH1A1YAP1
SCHEMBL20601315 0.84 KDM4E (0.58) KDM4EPKMYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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 (1 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KDM4E 657/4885PKM 892/4885CCNA2 3207/4885

“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.