SCHEMBL3662375

SCHEMBL3662375

CCCCCc1nnc(N)nc1CCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ TLR8 Q9NR97 5/20 0.38
▸ TLR7 Q9NYK1 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 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
SCHEMBL2364943 0.86 DHFR (0.47) DHFRALDH1A1TLR8TLR7MEN1
SCHEMBL1025561 0.86 DHFR (0.47) DHFRALDH1A1TLR8TLR7MEN1
SCHEMBL2364340 0.77 TLR8 (0.46) DHFRTLR8TLR7
SCHEMBL4949768 0.77 GPR84 (0.47) DHFRALDH1A1MEN1KMT2AKCNH2
SCHEMBL10818337 0.75 KMT2A (0.37) DHFRALDH1A1MEN1KMT2AKCNH2
SCHEMBL10815973 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2AKCNH2KDM4E
SCHEMBL10816555 0.75 MEN1 (0.37) DHFRALDH1A1MEN1KMT2AKCNH2
SCHEMBL3265562 0.72 MEN1 (0.39) ALDH1A1MEN1KMT2AKCNH2KDM4E
SCHEMBL17545030 0.72 DHFR (0.54) DHFRTLR8TLR7KDM4E
SCHEMBL10858339 0.72 MEN1 (0.35) DHFRALDH1A1MEN1KMT2AKCNH2

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 27 patents — showing the first 20. 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
WO-2007126964-A2 KINASE INHIBITORS SCHERING CORPORATION (US) 2007-11-08 — — WO disclosed
EP-0088593-B1 1,2,4-TRIAZINE AND PYRAZINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-05-27 — — EP disclosed
US-4585861-A ACTIVATORS OF GAMMA-AMINOBUTYRIC ACID AND BENZODIAZEPINE BINDING ELI LILLY AND COMPANY (US) 1986-04-29 — — US disclosed
US-4585861-A ACTIVATORS OF GAMMA-AMINOBUTYRIC ACID AND BENZODIAZEPINE BINDING ELI LILLY AND COMPANY (US) 1986-04-29 — — US disclosed
US-4013654-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-03-22 — — US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — 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 (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 DHFR 2403/4885ALDH1A1 2101/4885TLR8 1031/4885
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 DHFR 651/4885ALDH1A1 550/4885TLR8 3383/4885

“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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