SCHEMBL3587110

SCHEMBL3587110

FC(F)(F)c1nc(NC2CC2)c2ncn(C3CCC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSB P07858 1/20 0.56
CDK2 P24941 8/20 0.49
CCNE1 P24864 7/20 0.49
CDK1 P06493 6/20 0.49
CCNE2 O96020 4/20 0.49
CCNB2 O95067 3/20 0.49
CDK4 P11802 3/20 0.49
CCNB1 P14635 3/20 0.49
CCND1 P24385 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
FLT3 P36888 5/20 0.46
PDGFRA P16234 4/20 0.46
SRC P12931 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL3137222 0.97 CTSL (0.59) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3142430 0.96 CTSL (0.61) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3142086 0.96 CTSL (0.61) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3137520 0.84 PDE4A (0.61) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3146377 0.82 PDE4A (0.60) CTSLCTSSCTSBCDK1PDE4A
SCHEMBL3140744 0.82 CTSL (0.43) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3142353 0.82 CTSL (0.43) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3140757 0.82 CTSL (0.43) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL3137196 0.81 CTSL (0.53) CTSLCTSSCTSBCDK2CCNE1
SCHEMBL6863830 0.81 PDE5A (0.55) CTSLCTSSCTSBCDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US claimed
CN-100439370-C Trifluoromethylpurines as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-12-03 CN claimed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US claimed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US claimed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US claimed
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 CN claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CTSL 1999/4885CTSS 2199/4885CTSB 2516/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CTSL 1999/4885CTSS 2199/4885CTSB 2516/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CTSL 2120/4885CTSS 2254/4885CTSB 2421/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CTSL 2120/4885CTSS 2254/4885CTSB 2421/4885

“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.