SCHEMBL8770808

SCHEMBL8770808

O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)cc1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.60
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 2/20 0.59
BAZ2B Q9UIF8 1/20 0.59
HTT P42858 1/20 0.58
ADH5 P11766 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL22661803 0.95 CYP3A4 (0.64) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL21254474 0.93 KMT2A (0.57) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL1666107 0.91 ROCK1 (0.60) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL21254532 0.91 ROCK1 (0.53) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL13315310 0.89 ROCK1 (0.57) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL3380451 0.88 MAPT (0.63) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL8773472 0.87 HTT (0.58) ROCK1KMT2ACYP3A4BAZ2BHTT
SCHEMBL1664421 0.83 RXFP1 (0.78) KMT2AHTTRXFP1LMNAMAPT
SCHEMBL8770655 0.81 AOC2 (0.60) KMT2AHTTRXFP1LMNAMAPT
SCHEMBL10960777 0.80 CYP3A4 (0.64) KMT2ACYP3A4BAZ2BHTTADH5

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 8 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
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US 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 ROCK1 1535/4885KMT2A 2225/4885CYP3A4 4827/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ROCK1 1523/4885KMT2A 806/4885CYP3A4 4880/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ROCK1 1523/4885KMT2A 806/4885CYP3A4 4880/4885

“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.