SCHEMBL8768688

SCHEMBL8768688

O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.65
MMP9 P14780 5/20 0.65
MMP8 P22894 5/20 0.65
MMP13 P45452 5/20 0.65
COMT P21964 1/20 0.64
HPSE Q9Y251 1/20 0.62
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 4/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 3/20 0.62
ATM Q13315 2/20 0.62
NPC1 O15118 2/20 0.62
MEN1 O00255 1/20 0.62
THRB P10828 1/20 0.62
RECQL P46063 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 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
SCHEMBL19174176 0.93 MMP2 (0.74) MMP2MMP9MMP8MMP13COMT
Hydrochloric Acid SCHEMBL19149751 0.91 MMP2 (0.73) MMP2MMP9MMP8MMP13COMT
SCHEMBL8769518 0.90 HPSE (0.73) MMP2MMP9MMP8MMP13COMT
SCHEMBL8767467 0.89 MMP2 (0.81) MMP2MMP9MMP8MMP13COMT
SCHEMBL26753803 0.87 MAPT (0.69) MMP2MMP9MMP8MMP13COMT
SCHEMBL8767573 0.87 MAPT (0.67) MMP2MMP9MMP8MMP13COMT
SCHEMBL6128131 0.87 HPSE (0.65) MMP2MMP9MMP8MMP13COMT
SCHEMBL8770113 0.87 MAPT (0.66) MMP2MMP9MMP8MMP13COMT
SCHEMBL8768340 0.87 MMP2 (0.77) MMP2MMP9MMP8MMP13COMT
SCHEMBL8769011 0.85 ATM (0.63) MMP2MMP9MMP8MMP13COMT

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 12 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-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-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-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-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
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 MMP2 2911/4885MMP9 4364/4885MMP8 1058/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885

“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.