SCHEMBL5193377

SCHEMBL5193377

CCC(CC)n1cnc2c(Nc3ccc(OC(F)(F)F)cc3)nc(Cl)nc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.52
CDK5R1 Q15078 9/20 0.52
CCNA2 P20248 8/20 0.52
CDK2 P24941 8/20 0.52
CCNA1 P78396 8/20 0.52
DYRK1A Q13627 7/20 0.52
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
ABL1 P00519 4/20 0.43
BCR P11274 4/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
CTSC P53634 1/20 0.41

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
SCHEMBL5196103 0.91 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5193482 0.82 CDK5 (0.60) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5630231 0.80 CDK5 (0.61) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5195354 0.79 CDK1 (0.61) CDK2CDK1
SCHEMBL5195357 0.79 CDK1 (0.61) CDK2CDK1
SCHEMBL5193365 0.79 CDK5 (0.78) CDK5CDK5R1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL5628160 0.79 CDK1 (0.60) CDK2CDK1
Hydrochloric Acid SCHEMBL5628157 0.79 CDK1 (0.60) CDK2CDK1
SCHEMBL6947470 0.76 FLT3 (0.52) CDK2NPC1ABL1BCR
SCHEMBL5193529 0.73 CDK5 (0.62) CDK5CDK5R1CCNA2CDK2CCNA1

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 6 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
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 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
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 51/4885CCNA2 22/4885

“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.