SCHEMBL6983589

SCHEMBL6983589

NC(c1ccccc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CYP3A4 P08684 1/20 0.51
GFER P55789 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
AR P10275 2/20 0.45
SREBF2 Q12772 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
SCHEMBL3515545 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL4583617 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL7504446 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL9300583 0.77 RAB9A (0.42) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL13894473 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL2754043 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL14533696 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL10052165 0.74 KMT2A (0.58) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL11697020 0.74 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL3705961 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL ALDH1A1 1999/4885KMT2A 2267/4885MEN1 3944/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ALDH1A1 842/4885KMT2A 2323/4885MEN1 4092/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1120/4885KMT2A 2150/4885MEN1 4125/4885

“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.