SCHEMBL5256013

SCHEMBL5256013

N#Cc1nc(Nc2ccc(Cl)cc2)cc(N2CCC[C@H]2C(N)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.44
SCN9A Q15858 5/20 0.44
AR P10275 1/20 0.41
MAT2A P31153 2/20 0.40
SYK P43405 2/20 0.40
MAPK3 P27361 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
GRM5 P41594 2/20 0.37
BCL6 P41182 1/20 0.37
CTSS P25774 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL5252400 0.76 GALR2 (0.47) ADORA3ADORA2A
SCHEMBL5253333 0.76 KCNH2 (0.46)
SCHEMBL5255238 0.74 GALR1 (0.47) CTSS
SCHEMBL5253588 0.74 AURKA (0.43) GRM5
SCHEMBL5255441 0.73 PIK3CA (0.57) CTSSADORA2A
SCHEMBL4843758 0.71 MAT2A (0.44) FPR2SCN9AARMAT2ASYK
SCHEMBL5253071 0.71 CTSK (0.51) CTSS
SCHEMBL5254462 0.70 CTSK (0.46) CTSS
SCHEMBL4846709 0.69 F10 (0.47) FPR2SCN9AARMAT2ASYK
SCHEMBL6221879 0.69 PFKFB3 (0.43) SCN9AJAK2

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
EP-1532121-B1 NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-14 EP claimed
US-7125881-B2 Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives ASTRAZENECA AB (SE) 2006-10-24 US claimed
US-20050222152-A1 New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives ASTRAZENECA AB (SE) 2005-10-06 US claimed
EP-1532121-A1 NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES AstraZeneca AB (SE) 2005-05-25 EP claimed
WO-2004000819-A1 NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES ASTRAZENECA AB (SE) 2003-12-31 WO claimed
EP-1532121-B1 NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
US-7125881-B2 Use of pyrimidine—or triazine—2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20050222152-A1 New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives ASTRAZENECA AB (SE) 2005-10-06 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 (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-20050222152-A1 New use of pyrimidine - or triazine - 2 carbonitiles for treating diseases associated with cysteine prostease activity and novel pyrimidine-2-carbonitile derivatives CTSS, CTSZ, CTSE FPR2 655/4885SCN9A 3540/4885AR 3172/4885

“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.