SCHEMBL3661591

SCHEMBL3661591

CCCCCc1nnc(N)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.46
▸ ADORA2A P29274 3/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TLR8 Q9NR97 5/20 0.38
▸ PI4KA P42356 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ DNM1 Q05193 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL14877441 0.84 GPR84 (0.44) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL13978021 0.77 GPR84 (0.48) GPR84ADORA2AADORA3ALDH1A1KCNH2
SCHEMBL10849869 0.73 ADORA2A (0.46) ADORA2AADORA2BADORA1ADORA3TLR8
SCHEMBL4949768 0.72 GPR84 (0.47) GPR84ALDH1A1KCNH2CYP1A2CYP3A4
SCHEMBL92739 0.71 KCNH2 (0.46) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL1639952 0.71 CASP1 (0.68) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL30808296 0.71 ADORA2A (0.40) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL821678 0.70 CASP1 (0.65) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL113501 0.70 CASP1 (0.65) GPR84ADORA2AADORA2BADORA1ADORA3
SCHEMBL11408908 0.70 CASP1 (0.65) GPR84ADORA2AADORA2BADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700601-B2 Substituted indazoles of formula 1.0 that are kinase inhibitors SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
EP-1871765-B1 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2009-12-09 — — EP disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 — — US disclosed
EP-2001870-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-17 — — EP disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 — — US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 — — US disclosed
EP-1871765-A2 3-(INDAZOL-5-YL)-(1,2,4)TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2008-01-02 — — EP disclosed
WO-2007126964-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2007-11-08 — — WO disclosed
WO-2006081230-A2 3-(INDAZOL-5-YL)-(1,2, 4) TRIAZINE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2006-08-03 — — 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 (2 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 GPR84 1643/4885ADORA2A 3383/4885ADORA2B 3916/4885
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 GPR84 1890/4885ADORA2A 467/4885ADORA2B 1448/4885

“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.

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