SCHEMBL1664098

SCHEMBL1664098

Nc1ccc(-c2c(N)ccc(N)c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
THRB P10828 3/20 0.45
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL17541403 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL31327474 0.82 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL302093 0.74 CYP3A4 (0.43) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL9330647 0.73 TDP1 (0.48) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL3821946 0.73 CYP3A4 (0.48) ALDH1A1CYP3A4TDP1TP53MEN1
Hydrochloric Acid SCHEMBL7531150 0.73 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1TP53MEN1
Hydrochloric Acid SCHEMBL5800875 0.73 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL10705075 0.73 MAOA (0.41) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL29450595 0.73 CYP3A4 (0.71) ALDH1A1CYP3A4TDP1TP53MEN1
SCHEMBL28877117 0.72 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL ALDH1A1 3228/4885CYP3A4 4827/4885TDP1 4799/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885CYP3A4 4880/4885TDP1 4089/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885CYP3A4 4880/4885TDP1 4089/4885

“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.