SCHEMBL6763997

SCHEMBL6763997

O=[N+]([O-])c1ccc2[nH]c(Cc3ccccc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.81
GRIN1 Q05586 1/20 0.65
GRIN2B Q13224 1/20 0.65
GAA P10253 4/20 0.57
PKM P14618 4/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.52
KCNJ1 P48048 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
NPBWR1 P48145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL6773598 0.89 RIPK1 (1.00) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL6233351 0.86 RIPK1 (0.61) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL10475710 0.86 RIPK1 (0.61) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL27203243 0.85 RIPK1 (0.60) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL31154045 0.84 GRIN1 (0.62) RIPK1GRIN1GRIN2BGAAMAPT
SCHEMBL8027000 0.84 RIPK1 (0.58) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL29822933 0.83 RIPK1 (0.71) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL28642046 0.83 RIPK1 (0.71) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL6371911 0.82 RIPK1 (0.70) RIPK1GRIN1GRIN2BGAAPKM
SCHEMBL1595438 0.82 GRIN1 (0.60) RIPK1GRIN1GRIN2BPKMMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-6723726-B1 Protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
EP-0912570-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
EP-1304110-A2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LIMITED (GB) 2003-04-23 EP disclosed
EP-0912559-B1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2002-11-06 EP disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
US-6174889-B1 PROTEIN TYROSINE KINASE INHIBITORS RELATED TO BIOISOSTERES OF QUINOLINE AND QUINAZOLINE DERIVATIVES; ANTICARCINOGENIC AND -TUMOR AGENTS; PSORIASIS; RESTENOSIS; RHEUMATOID ARTHRITIS, AUTOIMMUNE DISEASE, ALLERGY, ASTHMA AND GRAFT REJECTION GLAXO WELLCOME INC. 2001-01-16 US disclosed
CN-1230187-A Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXO GROUP LTD (GB) 1999-09-29 CN disclosed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
US-5874501-A POLY(P-HYDROXYSTYRENE) WITH AROMATIC MOIETY AND ALIPHATIC MOIETY WITH INORGANIC OXIDE KEEHAN DONALD J (US) 1999-02-23 US disclosed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
EP-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
WO-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 WO disclosed
US-5658996-A A LIQUID POLYEPOXIDE PREPOLYMER THE REACTION PRODUCT OF A TRISHYDROXYPHENYL, AN AROMATIC DIGLYCIDYL ETHER AND METAL OXIDE; CURABLE, LOW VISCOSITY; FORMED POLYEPOXIDE IS HEAT AND CHEMICAL RESISTANCE, ELONGATION, TOUGHNESS KEEHAN DONALD J (US) 1997-08-19 US disclosed
US-5169912-A Hydrolyzable oxygen bonding with epoxide; silica, titania; high performance coatings, adhesives KEEHAN DONALD J (US) 1992-12-08 US disclosed
US-5026816-A Reaction product of diglycidyl ether of (bisphenol a or resorcinol) with metallic oxide in presence of imidazole catalyst KEEHAN DONALD J (US) 1991-06-25 US disclosed
US-4880892-A PHOSPHONIUM OR PHOSPHORANE CATALYST, PROTECTIVE COATINGS CIBA-GEIGY CORPORATION (US) 1989-11-14 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK RIPK1 405/4885GRIN1 4085/4885GRIN2B 4209/4885

“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.