SCHEMBL2236715

SCHEMBL2236715

COc1ccc(NC(=O)Nc2ccc(-c3nccc(Cl)c3C#N)cc2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.49
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDR P35968 3/20 0.46
PDGFRA P16234 2/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL3443290 0.85 TP53 (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1704022 0.79 KDR (0.53) KMT2AMEN1KDR
SCHEMBL12346315 0.78 ALDH1A1 (0.47) MAPTALDH1A1TDP1KDRHTT
SCHEMBL1702775 0.77 KDR (0.58) MAPTSMN1; SMN2PKMKDRPDGFRA
SCHEMBL1703240 0.77 KDR (0.45) MAPTKMT2AMEN1SMN1; SMN2KDR
SCHEMBL3443455 0.76 CNR1 (0.52) KMT2ASMN1; SMN2PKMKDRPDGFRA
SCHEMBL3442309 0.76 MEN1 (0.57) MAPTKMT2AMEN1SMN1; SMN2KDR
SCHEMBL3442732 0.76 KDR (0.57) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3442391 0.75 KDR (0.56) MAPTKMT2AMEN1SMN1; SMN2KDR
SCHEMBL3443775 0.74 KDR (0.50) MAPTKMT2AMEN1SMN1; SMN2POLB

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
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US disclosed
EP-1845978-B1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
EP-2211856-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS The Hospital For Sick Children (CA) 2010-08-04 EP disclosed
WO-2009073564-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS THE HOSPITAL FOR SICK CHILDREN (CA) 2009-06-11 WO disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US disclosed
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP disclosed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 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 (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-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 MAPT 3762/4885ALDH1A1 1845/4885KMT2A 3981/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 MAPT 3762/4885ALDH1A1 1845/4885KMT2A 3981/4885

“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.