SCHEMBL1663338

SCHEMBL1663338

O=Cc1ccc(CN2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.59
CXCR4 P61073 12/20 0.59
HRH3 Q9Y5N1 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2C P18825 1/20 0.59
CCR2 P41597 1/20 0.59
CXCL12 P48061 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42

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
Hydrochloric Acid SCHEMBL28629993 0.98 CXCR4 (0.60) SIGMAR1CXCR4HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL28629990 0.97 SIGMAR1 (0.56) SIGMAR1CXCR4HRH3MEN1KMT2A
Hydroxyamine SCHEMBL28217478 0.95 SIGMAR1 (0.54) SIGMAR1CXCR4HRH3MEN1KMT2A
SCHEMBL13077748 0.91 CXCR4 (0.77) SIGMAR1CXCR4HRH3MEN1KMT2A
SCHEMBL27990811 0.87 HRH3 (0.52) SIGMAR1CXCR4HRH3ALDH1A1
SCHEMBL3694234 0.83 HRH3 (0.65) CXCR4HRH3MEN1KMT2AALDH1A1
SCHEMBL470384 0.83 HRH3 (0.59) CXCR4HRH3MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL5573232 0.82 CXCR4 (0.78) SIGMAR1CXCR4HRH3MEN1KMT2A
SCHEMBL1259387 0.82 CXCR4 (0.81) SIGMAR1CXCR4HRH3MEN1KMT2A
SCHEMBL6081959 0.82 SIGMAR1 (0.59) SIGMAR1CXCR4HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO 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 (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 SIGMAR1 3617/4885CXCR4 170/4885HRH3 1605/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SIGMAR1 4764/4885CXCR4 2591/4885HRH3 662/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SIGMAR1 3532/4885CXCR4 121/4885HRH3 1304/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SIGMAR1 3532/4885CXCR4 121/4885HRH3 1304/4885

“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.