SCHEMBL2816979

SCHEMBL2816979

Cc1ccc(C(=O)Nc2ccc(-c3cc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c3C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
RAF1 P04049 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NT5E P21589 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
ENPP2 Q13822 2/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39

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
SCHEMBL2820135 0.86 MEN1 (0.52) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2822200 0.85 SQOR (0.47) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2816408 0.85 SQOR (0.57) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2818396 0.85 KDR (0.46) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2817320 0.83 SQOR (0.47) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2817281 0.82 MEN1 (0.46) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2816422 0.82 SQOR (0.48) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2819593 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL2818334 0.81 MEN1 (0.47) SQORALDH1A1MEN1KMT2AHPGD
SCHEMBL2819969 0.80 SQOR (0.48) SQORALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP disclosed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US disclosed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 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 (1 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-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same TEK, TIE1, KDR SQOR 1722/4885ALDH1A1 1626/4885MEN1 357/4885

“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.