SCHEMBL4847855

SCHEMBL4847855

CCNc1nc(C#N)nc2c1ncn2-c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.68
CTSV O60911 1/20 0.68
CTSH P09668 1/20 0.68
CTSS P25774 1/20 0.68
CASP1 P29466 1/20 0.68
CTSK P43235 1/20 0.68
CTSC P53634 1/20 0.68
CTSZ Q9UBR2 1/20 0.68
CTSB P07858 1/20 0.52
NPC1 O15118 1/20 0.48

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
SCHEMBL4849558 0.87 CTSL (0.53) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4848081 0.81 CTSL (0.48) CTSLCTSVCTSHCTSSCASP1
SCHEMBL3353019 0.81 CTSL (1.00) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4849083 0.80 CTSL (0.45) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4847949 0.78 XDH (0.43) CTSLCTSVCTSHCTSSCASP1
SCHEMBL3441067 0.74 CCNE2 (0.58) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4848305 0.74 XDH (0.42) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4838855 0.73 NPC1 (0.77) CTSLCTSVCTSHCTSSCASP1
SCHEMBL6223632 0.72 CTSL (0.44) CTSLCTSVCTSHCTSSCASP1
SCHEMBL4847924 0.71 PRKDC (0.45) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439240-B2 Purine-or pyrrolol[2,3-d]pyrimidine-2-carbonitiles for treating diseases associated with cysteine protease activity ASTRAZENECA AB (SE) 2008-10-21 US claimed
EP-1532148-B1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example ASTRAZENECA AB (SE) 2005-09-15 US claimed
EP-1532148-A1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AstraZeneca AB (SE) 2005-05-25 EP claimed
WO-2004000843-A1 NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2003-12-31 WO claimed
US-7439240-B2 Purine-or pyrrolol[2,3-d]pyrimidine-2-carbonitiles for treating diseases associated with cysteine protease activity ASTRAZENECA AB (SE) 2008-10-21 US disclosed
US-20080125426-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080119469-A1 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases ASTRAZENECA AB (SE) 2008-05-22 US disclosed
EP-1532148-B1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example ASTRAZENECA AB (SE) 2005-09-15 US disclosed
EP-1532148-A1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004000843-A1 NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2003-12-31 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 (3 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-20080119469-A1 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases CTSS, CTSB, CTSL CTSL 3/4885CTSV 6/4885CTSH 17/4885
US-20080125426-A1 Novel Compounds CTSS, CTSB, CTSF CTSL 4/4885CTSV 6/4885CTSH 16/4885
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example CTSB, CTSL, CTSS CTSL 2/4885CTSV 7/4885CTSH 15/4885

“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.