SCHEMBL8771684

SCHEMBL8771684

O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.85
MEN1 O00255 4/20 0.85
KMT2A Q03164 4/20 0.85
MAPT P10636 3/20 0.65
ALDH1A1 P00352 2/20 0.65
POLB P06746 5/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
TDP1 Q9NUW8 3/20 0.63
CTDSP1 Q9GZU7 2/20 0.63
PLEC Q15149 1/20 0.63
SIRT1 Q96EB6 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC2 Q92769 1/20 0.61

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
SCHEMBL12937881 0.93 RAB9A (0.74) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL13568878 0.91 RAB9A (0.97) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL8767795 0.91 HDAC3 (0.72) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL12937883 0.89 MEN1 (0.72) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL13569077 0.89 RAB9A (0.94) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL13568908 0.88 RAB9A (0.67) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL12937853 0.87 MEN1 (0.69) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL13568879 0.87 CYP2D6 (0.75) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL23978392 0.86 ALDH1A1 (0.74) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL12937826 0.86 ESR1 (0.78) RAB9AMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 4230/4885MEN1 1370/4885KMT2A 2225/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MEN1 1395/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MEN1 1395/4885KMT2A 806/4885

“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.