SCHEMBL3146529

SCHEMBL3146529

Nc1cccc(F)c1C(=O)NNc1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.59
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
P2RX7 Q99572 1/20 0.47
CRBN Q96SW2 1/20 0.46
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL15597733 0.84 GAA (0.58) GAAKMT2ALMNAPKMPOLB
SCHEMBL3158438 0.83 GAA (0.61) GAAKMT2ARAB9ANPC1POLB
SCHEMBL15597703 0.80 GAA (0.69) GAAKMT2ALMNAPKMPOLB
SCHEMBL28019770 0.79 GAA (0.55) GAAKMT2ALMNAPKMRAB9A
SCHEMBL15597906 0.78 GAA (0.53) GAAKMT2ALMNAPKMRAB9A
SCHEMBL10474111 0.76 GAA (0.53) GAAKMT2ALMNAPKMRAB9A
SCHEMBL13806891 0.76 GAA (0.68) GAAKMT2ALMNAPKMPOLB
SCHEMBL10296668 0.76 HTT (0.63) GAAKMT2ALMNARAB9ANPC1
SCHEMBL735325 0.76 CYP1A2 (0.51) GAAKMT2ALMNAPKMRAB9A
SCHEMBL10475129 0.75 GAA (0.74) GAAKMT2ALMNAPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828182-B1 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
US-7485636-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles PFIZER INC. (US) 2009-02-03 US disclosed
US-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles WARNER LAMBERT COMPANY LLC (US) 2008-11-27 US disclosed
US-7423054-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT COMPANY LLC (US) 2008-09-09 US disclosed
EP-1828182-A2 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-09-28 US disclosed
WO-2006056873-A2 THERAPEUTIC PYRAZOLO[3,4-B] PYRIDINES AND INDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2006-06-01 WO disclosed
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-06-01 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 (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-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles P2RX3, P2RX4, ACHE GAA 1579/4885KMT2A 3451/4885LMNA 4535/4885
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles P2RX3, P2RX4, ACHE GAA 1579/4885KMT2A 3451/4885LMNA 4535/4885
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles P2RX3, P2RX4, ACHE GAA 1579/4885KMT2A 3451/4885LMNA 4535/4885

“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.