SCHEMBL4193971

SCHEMBL4193971

CCC(CC)n1c(=O)[nH]c2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.55
SYK P43405 12/20 0.53
JAK3 P52333 4/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCND2 P30279 1/20 0.50
CCND3 P30281 1/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49

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
SCHEMBL11984272 0.92 SYK (0.52) ALKSYKJAK3CDK4CCND1
SCHEMBL7713641 0.89 CCNE2 (0.58) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL11984282 0.87 CDK4 (0.57) SYKJAK3CDK4CCND1CCND2
SCHEMBL11984080 0.87 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL11984249 0.86 KCNH2 (0.51) SYKJAK3CDK4CCND1CCND2
SCHEMBL4191302 0.82 SYK (0.55) ALKSYKJAK3CDK4CCND1
SCHEMBL1783349 0.82 ALK (0.55) ALKSYKJAK3CDK4CCND1
SCHEMBL4186969 0.82 ALK (0.56) ALKSYKJAK3CDK4CCND1
SCHEMBL11984303 0.81 JAK2 (0.53) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL4196286 0.81 ALK (0.56) ALKSYKJAK3CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies NOVARTIS AG (CH) 2018-07-26 US disclosed
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer NOVARTIS AG (CH) 2016-01-14 US disclosed
US-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2013-02-07 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
WO-2011130232-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR AND AN MTOR INHIBITOR FOR TREATING CANCER NOVARTIS AG (CH) 2011-10-20 WO disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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 (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-20130035336-A1 COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR FOR TREATING CANCER CDK4, CDK6, CDK8 ALK 2004/4885SYK 2391/4885JAK3 680/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP ALK 794/4885SYK 1001/4885JAK3 716/4885
US-20180207163-A1 Methods and compositions for treating solid tumors and other malignancies CDK4, CDK6, MTOR ALK 870/4885SYK 1224/4885JAK3 230/4885
US-20160008367-A1 Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer CDK4, CDK6, CDKL4 ALK 1940/4885SYK 2298/4885JAK3 630/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP ALK 794/4885SYK 1001/4885JAK3 716/4885

“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.