SCHEMBL8769045

SCHEMBL8769045

O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.76
▸ ESR1 P03372 1/20 0.71
▸ ESRRG P62508 1/20 0.71
▸ ESR2 Q92731 1/20 0.71
▸ IKBKB O14920 1/20 0.67
▸ RAB9A P51151 6/20 0.64
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ NPC1 O15118 3/20 0.60
▸ CASP3 P42574 2/20 0.60
▸ SENP7 Q9BQF6 2/20 0.60
▸ SIRT1 Q96EB6 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ HDAC3 O15379 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL1563547 0.93 DNM1 (0.73) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL1563549 0.93 DNM1 (0.73) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL6636776 0.93 DNM1 (0.73) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL13569020 0.88 ESR1 (0.89) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL1563599 0.86 ESRRG (0.85) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL6634693 0.86 ESRRG (0.85) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL1563601 0.86 ESRRG (0.85) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL13568983 0.84 ESR1 (0.82) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL30513741 0.84 ESRRG (0.82) DNM1ESR1ESRRGESR2IKBKB
SCHEMBL27178122 0.84 ESRRG (0.82) DNM1ESR1ESRRGESR2IKBKB

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 7 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
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 DNM1 1623/4885ESR1 3431/4885ESRRG 162/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF DNM1 2312/4885ESR1 1856/4885ESRRG 228/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF DNM1 2312/4885ESR1 1856/4885ESRRG 228/4885

“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.

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