Quinaldine

Quinaldine

SCHEMBL4054096

CCI.Cc1ccc2ccccc2n1

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.79
▸ NCF1 P14598 3/20 0.45
▸ NOS2 P35228 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
Quinaldine SCHEMBL11103776 0.91 CYP1A2 (0.86) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL29124097 0.89 CYP1A2 (0.91) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL29405077 0.89 CYP1A2 (1.00) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL5428195 0.89 CYP1A2 (1.00) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL56360 0.89 CYP1A2 (1.00) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL27277314 0.88 CYP1A2 (0.79) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL10348815 0.87 CYP1A2 (0.95) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL9724469 0.87 CYP1A2 (0.95) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL4432999 0.87 CYP1A2 (0.95) CYP1A2NCF1NOS2BACE1CA12
Quinaldine SCHEMBL22129966 0.87 CYP1A2 (0.95) CYP1A2NCF1NOS2BACE1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 — — US disclosed
EP-2029584-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-03-04 — — EP disclosed
WO-2007096618-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 — — WO disclosed
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 — — CN disclosed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 — — CN disclosed
US-6149895-A Dental bleaching compositions, kits & methods KREATIV, INC (US) 2000-11-21 — — US disclosed
EP-0383092-B1 Chromogenic merocyanine enzyme substrates BAYER AG (US) 1995-12-13 — — EP disclosed
US-5382497-A Optical recording medium and process for recording thereupon CANON KABUSHIKI KAISHA (JP) 1995-01-17 — — US disclosed
US-5320930-A Irradiating to form detectable pits; containing pyrylium, cyanine, merocyanine dyes, selenapyrylium and methine dyes CANON KABUSHIKI KAISHA (JP) 1994-06-14 — — US disclosed
US-5278026-A Comprising photosensitive compounds CANON KABUSHIKI KAISHA (JP) 1994-01-11 — — US disclosed
US-5246814-A Mehtine or pyrylium dye CANON KABUSHIKI KAISHA (JP) 1993-09-21 — — US disclosed
US-5191073-A Indicators for colorimetric analysis of enzymes MILES INC. (US) 1993-03-02 — — US disclosed
US-5122602-A Optical indicators; medical diagnosis; quantitative analysis; immunoassay MILES INC. (US) 1992-06-16 — — US disclosed
US-5079127-A Methine Dyes CANON KABUSHIKI KAISHA (JP) 1992-01-07 — — US disclosed
US-5079128-A Thin film containing a methine dye having at least two dimethylaminophenyl groups and a carbonium ion; laser writing; heat resistance CANON KABUSHIKI KAISHA (JP) 1992-01-07 — — US disclosed
EP-0383092-A2 Chromogenic merocyanine enzyme substrates Bayer Corporation (US) 1990-08-22 — — EP 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-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE RB1, RBBP5, RRM2B CYP1A2 2027/4885NCF1 1802/4885NOS2 2096/4885

“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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