SCHEMBL4848080

SCHEMBL4848080

CSc1nc(Cl)c(CCCl)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
LMNA P02545 7/20 0.37
HTT P42858 5/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.31
HPGD P15428 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL17163041 0.83 POLB (0.41) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL24373059 0.83 L3MBTL1 (0.36) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL12495812 0.81 L3MBTL1 (0.40) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL24373447 0.79 HSP90AB1 (0.35) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL12661853 0.79 L3MBTL1 (0.42) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL19787511 0.75 ALDH1A1 (0.37) ALDH1A1LMNACYP1A2
SCHEMBL30648000 0.74 LMNA (0.38) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL8513029 0.74 LMNA (0.38) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL12661856 0.72 L3MBTL1 (0.38) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL22574603 0.72 KMT2A (0.38) L3MBTL1MAPTALDH1A1KMT2AMEN1

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-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 L3MBTL1 1913/4885MAPT 611/4885ALDH1A1 2991/4885
US-20080125426-A1 Novel Compounds CTSS, CTSB, CTSF L3MBTL1 759/4885MAPT 2012/4885ALDH1A1 3421/4885
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 L3MBTL1 1390/4885MAPT 2818/4885ALDH1A1 1961/4885

“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.