SCHEMBL6202379

SCHEMBL6202379

CCOC(=O)c1cnc2cc(I)ccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRA6 Q16445 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PKM P14618 1/20 0.46
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 5/20 0.44
SYK P43405 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL1616605 0.90 MAPK1 (0.53) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1616894 0.89 MAPK1 (0.45) MAPK1MEN1KMT2APKMGAA
SCHEMBL5767699 0.86 MAPK1 (0.55) MAPK1MEN1KMT2APKMGAA
SCHEMBL27994454 0.86 CA12 (0.54) MAPK1MEN1KMT2APKMGAA
SCHEMBL10341241 0.85 MEN1 (0.46) MAPK1GABRA1MEN1KMT2APKM
SCHEMBL1178859 0.84 MEN1 (0.55) MAPK1MEN1KMT2AGAAMAPT
SCHEMBL621551 0.84 MAPT (0.53) MAPK1MEN1KMT2APKMGAA
SCHEMBL2723624 0.84 MAPK1 (0.57) MAPK1GABRA1GABRA3MEN1KMT2A
SCHEMBL1040706 0.83 MAPT (0.54) MAPK1MEN1KMT2AGAANPSR1
SCHEMBL6202051 0.82 MAPT (0.48) MAPK1MEN1KMT2APKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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 (3 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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 MAPK1 1672/4885GABRA1 4738/4885GABRG2 4778/4885
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA MAPK1 587/4885GABRA1 2417/4885GABRG2 2038/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA MAPK1 587/4885GABRA1 2417/4885GABRG2 2038/4885

“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.