SCHEMBL600497

SCHEMBL600497

COc1cc(N)cc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 2/20 0.39
NQO2 P16083 1/20 0.39
HTR6 P50406 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
APP P05067 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
NR4A1 P22736 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 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
SCHEMBL116606 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL5800828 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL388181 0.82 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP19A1NQO2CYP1A1
SCHEMBL811852 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP19A1NQO2CYP1A1
Ammonia Solution, Strong SCHEMBL10988442 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL30365875 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
Hydrochloric Acid SCHEMBL3275940 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL21611343 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1MAPK1CYP19A1
SCHEMBL1629471 0.76 TP53 (0.52) ALDH1A1CYP3A4TDP1MAPK1SMN1; SMN2
SCHEMBL10174930 0.76 GRIN2D (0.36) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189060-B1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PF MEDICAMENT (FR) 2018-06-20 EP disclosed
US-20170281622-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2017-10-05 US disclosed
EP-3189060-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034634-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed
EP-2419428-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2015-05-13 EP disclosed
US-8722687-B2 Imidazo [1,2-A]pyridine derivatives as FGFR kinase inhibitors for use in therapy ASTEX THERAPEUTICS LTD (GB) 2014-05-13 US disclosed
EP-2419428-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY Astex Therapeutics Ltd. (GB) 2012-02-22 EP disclosed
US-20120041000-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-02-16 US disclosed
WO-2010119285-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2010-10-21 WO disclosed
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
US-6310102-B1 OXY OR HYDROXY OR NITRO SUBSTITUTED PHENYLALKYLENE AMINE DERIVATIVE USED FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER CHARACTERIZED BY AN ALTERATION IN NORMAL NEUROTRANSMITTER RELEASE TARGACEPT, INC. 2001-10-30 US disclosed
US-6262124-B1 FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS TARGACEPT, INC., A CORPORATION OF DELAWARE 2001-07-17 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
WO-2000078708-A1 SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE AGOURON PHARMACEUTICALS, INC. (US) 2000-12-28 WO disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 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 (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-20120041000-A1 IMIDAZO [1,2-A]PYRIDINE DERIVATIVES AS FGFR KINASE INHIBITORS FOR USE IN THERAPY FGFR1, FGFR3, FGFR2 ALDH1A1 475/4885CYP3A4 862/4885TDP1 1661/4885
US-20170281622-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK JAK2, JAK3, JAK1 ALDH1A1 3818/4885CYP3A4 3794/4885TDP1 4320/4885

“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.