SCHEMBL6747378

SCHEMBL6747378

CN(C)c1nc(Cl)nc2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
PDPK1 O15530 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHEK2 O96017 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PRKACA P17612 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKCD Q05655 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
TMIGD3 P0DMS9 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23760858 0.80 PDPK1 (0.37) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL18961871 0.80 ALDH1A1 (0.37) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL30390058 0.79 PDPK1 (0.36) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL20793714 0.79 PDPK1 (0.36) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL9705692 0.79 PDPK1 (0.36) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL19777975 0.77 PDPK1 (0.35) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL19778471 0.76 LRRK2 (0.34) PDPK1CHEK1AURKACHEK2HSP90AA1
SCHEMBL3108538 0.76 KDR (0.53)
SCHEMBL4451632 0.76 XDH (0.40) XDHPDPK1AURKAPRKACARPS6KA3
SCHEMBL30586374 0.76 CSNK2A1 (0.36) XDHAURKAPRKACARPS6KA3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
CN-113444113-A Artemisinin-base split compound or pharmaceutically acceptable salt thereof, pharmaceutical preparation and application 贵州大学 2021-09-28 CN disclosed
CN-109369720-A A method of synthesis tenofovir analog 河南师范大学 2019-02-22 CN disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP 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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB XDH 3131/4885PDPK1 9/4885CHEK1 213/4885
US-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 XDH 295/4885PDPK1 796/4885CHEK1 4574/4885

“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.