SCHEMBL4843758

SCHEMBL4843758

N#Cc1nc2c(c(N3CCC[C@H]3C(N)=O)n1)CCN2c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.44
AR P10275 1/20 0.42
MAPK3 P27361 4/20 0.38
F10 P00742 1/20 0.38
FPR2 P25090 3/20 0.36
SCN9A Q15858 3/20 0.36
ELANE P08246 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4845062 0.88 F10 (0.51) ARMAPK3F10FPR2SCN9A
SCHEMBL4846709 0.78 F10 (0.47) MAT2AARMAPK3F10FPR2
SCHEMBL4905237 0.76 KDM4E (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15665092 0.73 CNR2 (0.49) MAT2AARFPR2SCN9AELANE
SCHEMBL13284534 0.73 CNR2 (0.49) MAT2AARFPR2SCN9AELANE
SCHEMBL5256013 0.71 FPR2 (0.44) MAT2AARMAPK3FPR2SCN9A
SCHEMBL6222933 0.71 JAK2 (0.38) FPR2SCN9A
SCHEMBL15938586 0.67 AR (0.55) ARMAPK3F10FPR2SCN9A
SCHEMBL15938514 0.67 AR (0.55) ARMAPK3F10FPR2SCN9A
SCHEMBL15938513 0.67 AR (0.55) ARMAPK3F10FPR2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125426-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-05-29 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
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

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 MAT2A 957/4885AR 3568/4885MAPK3 2619/4885
US-20080125426-A1 Novel Compounds CTSS, CTSB, CTSF MAT2A 2779/4885AR 4492/4885MAPK3 3928/4885
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 MAT2A 2299/4885AR 4293/4885MAPK3 4457/4885

“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.