SCHEMBL1663349

SCHEMBL1663349

O=C(O)c1ccc2c(ccn2CCN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.49
ESRRG P62508 2/20 0.48
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CNR2 P34972 1/20 0.44
PTGER4 P35408 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KDM4E B2RXH2 1/20 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
SCHEMBL6750680 0.94 NOS3 (0.51) CD274ESRRGKDM5AKDM5BNOS3
SCHEMBL1751729 0.90 HTR7 (0.51) CD274KDM5AKDM5BCYP1A2CYP2D6
SCHEMBL30622560 0.90 HTR7 (0.51) CD274KDM5AKDM5BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL30443770 0.88 HTR7 (0.50) KDM5AKDM5BCYP1A2CYP2D6CYP2C19
SCHEMBL4233332 0.88 ESRRG (0.60) ESRRGCYP2D6NOS3NOS1NOS2
SCHEMBL4236255 0.81 ESRRG (0.58) ESRRGCYP2D6CNR2PLGPLAU
SCHEMBL1664063 0.79 PLG (0.51) ESRRGPLGPLAU
Lithium SCHEMBL30620418 0.79 HDAC3 (0.60) KDM5AKDM5BPTGER4
SCHEMBL15936540 0.79 HDAC3 (0.62) KDM5AKDM5BALDH1A1MAPTKMT2A
SCHEMBL3387628 0.78 HRH3 (0.57) CNR2

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 14 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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN 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
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN 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
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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 (4 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 CD274 2182/4885ESRRG 162/4885KDM5A 3670/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CD274 861/4885ESRRG 228/4885KDM5A 2151/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CD274 861/4885ESRRG 228/4885KDM5A 2151/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A CD274 1763/4885ESRRG 4164/4885KDM5A 2172/4885

“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.