SCHEMBL221404

SCHEMBL221404

CCOC(=O)c1c(C)nc2c(cnn2CC)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 2/20 0.63
MEN1 O00255 1/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL10725467 0.89 MEN1 (0.60) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL10725250 0.88 MEN1 (0.59) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL1363026 0.87 KMT2A (0.52) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL10730621 0.87 MEN1 (0.50) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL6290024 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL10960565 0.86 MEN1 (0.49) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL10960979 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL10961088 0.85 MEN1 (0.48) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL11013350 0.85 MEN1 (0.48) ALDH1A1KMT2AHSD17B10MEN1GMNN
SCHEMBL4930818 0.85 KMT2A (0.53) ALDH1A1KMT2AHSD17B10MEN1GMNN

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
EP-2346867-A1 PHOSPHODIESTARASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2011-07-27 EP disclosed
EP-2046787-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-04-06 EP disclosed
EP-1940835-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-03-30 EP disclosed
EP-1581532-B1 PYRAZOLO¬3,4-B PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2010-04-28 EP disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-4645838-A Pyrazolopyridine compounds, and intermediates, useful as anxiolytic agents ICI AMERICAS INC. (US) 1987-02-24 US disclosed
EP-0094175-B1 PYRAZOLOPYRIDINE COMPOUNDS ICI AMERICAS INC. (US) 1986-10-29 EP disclosed
US-4563525-A Process for preparing pyrazolopyridine compounds ICI AMERICAS INC. (US) 1986-01-07 US disclosed
EP-0076035-B1 PYRAZOLO(3,4-B)PYRIDINE DERIVATIVES ICI AMERICAS INC. (US) 1985-12-11 EP disclosed
US-4552883-A CNS DEPRESSANTS, ANXIOLYTICS ICI AMERICAS INC. (US) 1985-11-12 US disclosed
US-4511568-A CNS-Depressant pyrazolopyridines ICI AMERICAS INC. (US) 1985-04-16 US disclosed
EP-0096995-A2 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-12-28 EP disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 EP disclosed
EP-0076035-A1 Pyrazolo(3,4-b)pyridine derivatives ICI AMERICAS INC. (US) 1983-04-06 EP disclosed
US-4364948-A Pyrazolo[3,4-b]pyridine compounds ICI AMERICAS INC. (US) 1982-12-21 US 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 (2 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 692/4885KMT2A 2872/4885HSD17B10 1350/4885
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B ALDH1A1 1452/4885KMT2A 3957/4885HSD17B10 2827/4885

“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.