SCHEMBL5196313

SCHEMBL5196313

O=S(=O)(NCCNc1nc(Cl)nc2c1ncn2C1CCCC1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.44
ADORA1 P30542 5/20 0.43
ADORA3 P0DMS8 5/20 0.43
CDK1 P06493 3/20 0.43
CHKA P35790 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
ADORA2A P29274 2/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL5195899 0.84 CHKA (0.42) CTSLADORA1ADORA3CDK1CHKA
SCHEMBL5193761 0.84 CTSL (0.46) CTSLADORA1ADORA3CDK1YTHDC1
SCHEMBL5197029 0.83 CTSL (0.43) CTSLADORA1ADORA3CDK1CHKA
SCHEMBL5196657 0.82 CTSL (0.51) CTSLADORA1ADORA3CDK1CHKA
SCHEMBL5193276 0.82 CDK2 (0.66) CDK1CCNB2CCNE2CDK4CCNB1
SCHEMBL5193282 0.82 CDK2 (0.66) CDK1CCNB2CCNE2CDK4CCNB1
Hydrochloric Acid SCHEMBL5626993 0.81 CDK2 (0.65) CDK1CCNB2CCNE2CDK4CCNB1
SCHEMBL5193236 0.81 YTHDC1 (0.45) CTSLCDK1YTHDC1TDP1FLT3
SCHEMBL6820577 0.81 CTSL (0.49) CTSLADORA1ADORA3CDK1YTHDC1
SCHEMBL6944712 0.80 CDK1 (0.57) CTSLADORA1ADORA3CDK1CCNB2

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 CTSL 2100/4885ADORA1 245/4885ADORA3 320/4885

“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.