SCHEMBL5842014

SCHEMBL5842014

CCn1cnc2c(Nc3cccc(C#N)c3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 1.00
PRKCA P17252 5/20 0.66
CCNB1 P14635 2/20 0.59
CCNB2 O95067 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
EGFR P00533 2/20 0.56
CCNE1 P24864 3/20 0.55
CDK2 P24941 3/20 0.55
PDGFRA P16234 2/20 0.55
NPC1 O15118 1/20 0.53
CCNT1 O60563 1/20 0.53
CDK4 P11802 1/20 0.53
EIF2AK2 P19525 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CCND3 P30281 1/20 0.53
MTOR P42345 1/20 0.53
CLK1 P49759 1/20 0.53
CLK2 P49760 1/20 0.53
CDK7 P50613 1/20 0.53

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
SCHEMBL5842019 1.00 CDK1 (1.00) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL29383223 1.00 CDK1 (1.00) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL5839876 0.91 CDK1 (1.00) CDK1PRKCAEGFRCCNE1CDK2
SCHEMBL5839873 0.91 CDK1 (1.00) CDK1PRKCAEGFRCCNE1CDK2
SCHEMBL5840346 0.91 CDK1 (1.00) CDK1PRKCAEGFRCCNE1CDK2
SCHEMBL6574952 0.88 CDK1 (0.83) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6574948 0.88 CDK1 (0.83) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL7203083 0.87 CDK1 (1.00) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL5840382 0.87 CDK1 (1.00) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL5840484 0.87 CDK1 (1.00) CDK1PRKCACCNB1CCNB2CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
US-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2014-09-04 US disclosed
US-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2014-09-04 US disclosed
EP-2617423-A1 Purine derivatives for the treatment of cystic diseases GENZYME CORPORATION (US) 2013-07-24 EP disclosed
US-20110046164-A1 Purine Derivatives for Treatment of Cystic Diseases GENZYME CORPORATION 2011-02-24 US disclosed
US-20110046164-A1 Purine Derivatives for Treatment of Cystic Diseases GENZYME CORPORATION 2011-02-24 US disclosed
WO-2008051502-A1 PURINE DERIVATIVES FOR THE TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2008-05-02 WO disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 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-20110046164-A1 Purine Derivatives for Treatment of Cystic Diseases TYMP, PKD1, CFTR CDK1 20/4885PRKCA 1327/4885CCNB1 103/4885
US-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES TYMP, PKD1, CFTR CDK1 20/4885PRKCA 1327/4885CCNB1 103/4885

“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.