SCHEMBL6402248

SCHEMBL6402248

Cc1nc(N)c(N=O)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
CCNA2 P20248 2/20 0.40
CCNA1 P78396 2/20 0.40
CDK1 P06493 2/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14490772 0.84 CDK2 (0.47) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL8864824 0.84 ALDH1A1 (0.33)
SCHEMBL29473573 0.78 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL29693584 0.78 CDK2 (0.41) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL4160357 0.78 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL2745214 0.78 CDK2 (0.41) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL14490774 0.78 CDK2 (0.42) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL10441417 0.75 CDK2 (0.38) CDK2CCNA2CCNA1CDK1CDK4
Nitrous Acid SCHEMBL29168822 0.75 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL5026853 0.75 CDK2 (0.38) CDK2CCNA2CCNA1CDK1CDK4

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
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
US-9573952-B2 Methods of preparing toll-like receptor modulators GILEAD SCIENCES, INC. (US) 2017-02-21 US disclosed
US-9573952-B2 Methods of preparing toll-like receptor modulators GILEAD SCIENCES, INC. (US) 2017-02-21 US disclosed
US-20160075707-A1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. 2016-03-17 US disclosed
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 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 (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-20160075707-A1 METHODS OF PREPARING TOLL-LIKE RECEPTOR MODULATORS TLR3, TLR4, TLR6 CDK2 3623/4885CCNA2 4759/4885CCNA1 4823/4885
US-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 CDK2 1802/4885CCNA2 3332/4885CCNA1 1408/4885

“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.