SCHEMBL5193529

SCHEMBL5193529

CCC(C)n1cnc2c(Nc3ccccc3)nc(Cl)nc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.62
CDK5R1 Q15078 10/20 0.62
CDK2 P24941 10/20 0.62
CCNA2 P20248 9/20 0.62
CCNA1 P78396 9/20 0.62
DYRK1A Q13627 8/20 0.62
CDK1 P06493 4/20 0.60
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
CCNE2 O96020 1/20 0.52
CCNE1 P24864 1/20 0.52
CCNB2 O95067 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL5193482 0.89 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5827777 0.88 CDK5 (0.79) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5193842 0.87 CDK5 (0.80) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5196875 0.85 CDK1 (0.83) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5196103 0.83 CDK5 (0.53) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5626927 0.81 CDK5 (0.63) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL5196519 0.80 CDK1 (0.55) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL3379300 0.80 YTHDC1 (0.60) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL183230 0.78 CDK1 (0.66) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL17628619 0.78 YTHDC1 (0.57) CDK5CDK5R1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
EP-1377260-B1 HAIR FIXATIVE COMPOSITION CONTAINING AN ANIONIC POLYMER ONDEO NALCO CO (US) 2007-06-27 EP disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 US disclosed
EP-1488774-B1 Polymer compositions and processes for preparing polymers ROHM & HAAS (US) 2007-03-14 EP disclosed
US-7160970-B2 Process for manufacturing polymers ROHM AND HAAS COMPANY (US) 2007-01-09 US disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 US disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 US disclosed
US-20050107546-A1 Process for manufacturing polymers ROHM AND HAAS COMPANY 2005-05-19 US disclosed
EP-1530962-A1 Process for manufacturing polymers ROHM AND HAAS COMPANY (US) 2005-05-18 EP disclosed
US-20040258648-A1 Polymer compositions and process for preparing polymers CREAMER MARIANNE PATRICIA (US) 2004-12-23 US disclosed
EP-1488774-A2 Polymer compositions and processes for preparing polymers ROHM AND HAAS COMPANY (US) 2004-12-22 EP disclosed
EP-1377260-A4 HAIR FIXATIVE COMPOSITION CONTAINING AN ANIONIC POLYMER ONDEO NALCO CO (US) 2004-08-11 EP disclosed
EP-1377260-A1 HAIR FIXATIVE COMPOSITION CONTAINING AN ANIONIC POLYMER Ondeo Nalco Company (US) 2004-01-07 EP disclosed
US-6569413-B1 Anionic copolymer of 2-acrylamido-2-methyl-1-propanesulfonic acid ONDEO NALCO COMPANY 2003-05-27 US disclosed
WO-2002083089-A1 HAIR FIXATIVE COMPOSITION CONTAINING AN ANIONIC POLYMER ONDEO NALCO COMPANY (US) 2002-10-24 WO disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 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 (1 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-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 CDK5 15/4885CDK5R1 51/4885CDK2 3/4885

“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.