SCHEMBL6992814

SCHEMBL6992814

O=C(Cl)c1nc2ccccc2nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RXFP1 Q9HBX9 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 2/20 0.37
POLB P06746 1/20 0.37
CLK1 P49759 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL3701892 0.83 TDP1 (0.56) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL634399 0.83 ALDH1A1 (0.72) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11206926 0.82 TDP1 (0.75) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3574871 0.82 TDP1 (0.54) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10562751 0.82 ALDH1A1 (0.69) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9157834 0.80 TDP1 (0.71) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7771482 0.80 ALDH1A1 (0.42) TDP1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6991670 0.79 ALDH1A1 (0.54) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3712426 0.79 ALDH1A1 (0.53) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
Bicarbonate SCHEMBL10870596 0.78 TDP1 (0.75) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
EP-2951168-B1 QUINOLINE AND QUINOXALINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-01-04 EP disclosed
EP-2951168-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Inc. (US) 2015-12-09 EP disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
CN-105073738-A Quinoline and quinazoline amides as modulators of sodium channels VERTEX PHARMA 2015-11-18 CN disclosed
US-9139529-B2 Substituted quinoxalines as sodium channel modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
WO-2014120815-A9 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-25 WO disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A TDP1 2954/4885ALDH1A1 1485/4885MAPT 2538/4885

“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.