SCHEMBL1214567

SCHEMBL1214567

CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](C)CO)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 1.00
CDK5 Q00535 13/20 1.00
CDK2 P24941 11/20 0.80
CDK7 P50613 8/20 0.80
CCNE1 P24864 6/20 0.80
CCNB1 P14635 6/20 0.80
CDK4 P11802 5/20 0.80
CCND1 P24385 5/20 0.80
CCNH P51946 5/20 0.80
CDK9 P50750 4/20 0.80
MAPK1 P28482 4/20 0.80
CSNK1D P48730 3/20 0.80
CLK2 P49760 3/20 0.80
DYRK1A Q13627 3/20 0.80
CLK4 Q9HAZ1 3/20 0.80
CSNK1G2 P78368 2/20 0.80
CSNK1G1 Q9HCP0 2/20 0.80
HIPK4 Q8NE63 2/20 0.80
SRPK1 Q96SB4 2/20 0.80
CCNB2 O95067 2/20 0.80

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
SCHEMBL2097192 1.00 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL1216848 1.00 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL21726198 0.90 CDK1 (0.81) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL1218376 0.90 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL2098033 0.90 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL4286629 0.90 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
Seliciclib SCHEMBL94728 0.89 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
(S)-Roscovitine SCHEMBL2907488 0.89 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL4276454 0.89 CDK1 (1.00) CDK1CDK5CDK2CDK7CCNE1
SCHEMBL17004030 0.89 CDK1 (0.80) CDK1CDK5CDK2CDK7CCNE1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2014-09-04 US claimed
EP-2617423-A1 Purine derivatives for the treatment of cystic diseases GENZYME CORPORATION (US) 2013-07-24 EP claimed
US-20110046164-A1 Purine Derivatives for Treatment of Cystic Diseases GENZYME CORPORATION 2011-02-24 US claimed
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2010-10-28 US claimed
EP-2076268-A1 PURINE DERIVATIVES FOR THE TREATMENT OF CYSTIC DISEASES Genzyme Corporation (US) 2009-07-08 EP claimed
WO-2008051502-A1 PURINE DERIVATIVES FOR THE TREATMENT OF CYSTIC DISEASES GENZYME CORPORATION (US) 2008-05-02 WO claimed
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2003-10-02 US claimed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP claimed
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2002-04-25 US claimed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 EP claimed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 WO claimed
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-8163762-B2 Purine derivatives having, in particular, anti-proliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-04-24 US disclosed
US-20110046164-A1 Purine Derivatives for Treatment of Cystic Diseases GENZYME CORPORATION 2011-02-24 US disclosed
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2003-10-02 US disclosed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP disclosed
EP-0874847-B1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NAT RECH SCIENT (FR) 2003-03-19 EP disclosed
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2002-04-25 US disclosed
US-6316456-B1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-11-13 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 (5 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 20/4885CDK5 54/4885CDK2 52/4885
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, DPYD CDK1 404/4885CDK5 324/4885CDK2 226/4885
US-20030186999-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885CDK5 517/4885CDK2 359/4885
US-20020049218-A1 Purine derivatives having, in particular, antiproliferative properties, and their biological uses PNP, TYMP, NUDT1 CDK1 501/4885CDK5 517/4885CDK2 359/4885
US-20140249165-A1 PURINE DERIVATIVES FOR TREATMENT OF CYSTIC DISEASES TYMP, PKD1, CFTR CDK1 20/4885CDK5 54/4885CDK2 52/4885

“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.