SCHEMBL5196618

SCHEMBL5196618

CCCNc1nc(Cl)nc2c1ncn2C(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.52
▸ CCNA2 P20248 7/20 0.45
▸ CDK2 P24941 7/20 0.45
▸ CCNA1 P78396 7/20 0.45
▸ CDK5 Q00535 6/20 0.45
▸ DYRK1A Q13627 6/20 0.45
▸ CDK5R1 Q15078 6/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL5196519 0.90 CDK1 (0.55) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL5192872 0.82 CDK1 (0.79) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL15756616 0.81 YTHDC1 (0.66) CDK1CDK2HDAC1HDAC2HDAC8
SCHEMBL6817833 0.81 CDK1 (0.63) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL1913380 0.79 CDK1 (0.41) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL30148781 0.79 CDK1 (0.41) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL5193482 0.79 CDK5 (0.60) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL1355796 0.78 CDK1 (0.57) CDK1CCNA2CDK2CCNA1CDK5
SCHEMBL12963542 0.77 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL24966176 0.77 CDK1 (0.69) CDK1CCNA2CDK2CCNA1CDK5

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 CDK1 2/4885CCNA2 22/4885CDK2 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.

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