SCHEMBL3664007

SCHEMBL3664007

CCCCCc1nnc(CCCCC)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 6/20 0.44
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS2 P35354 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL4949768 0.82 GPR84 (0.47) GPR84MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL13978021 0.73 GPR84 (0.48) GPR84PTGS2CYP3A4ESR1ADRA2A
SCHEMBL14877441 0.73 GPR84 (0.44) GPR84MEN1KMT2ACYP3A4ADORA3
SCHEMBL254525 0.73 GPR84 (0.44) GPR84MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10815973 0.72 MEN1 (0.37) GPR84MEN1KMT2APTGS2CYP3A4
SCHEMBL92739 0.69 KCNH2 (0.46) GPR84MEN1KMT2APTGS2CYP3A4
SCHEMBL8039222 0.69 PTGS2 (0.40) GPR84PTGS2CYP3A4ESR1ADRA2A
SCHEMBL29168795 0.69 PTGS2 (0.40) GPR84PTGS2CYP3A4ESR1ADRA2A
SCHEMBL28762822 0.69 GABRP (0.37) GPR84MEN1KMT2APTGS2CYP3A4
SCHEMBL3661591 0.68 GPR84 (0.46) GPR84CYP3A4ADORA3KDM4EALDH1A1

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-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
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-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 1643/4885MEN1 1654/4885KMT2A 1233/4885
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 1890/4885MEN1 1790/4885KMT2A 3245/4885

“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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