SCHEMBL174714

SCHEMBL174714

N#Cc1cnn(CCCl)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.39
KDR P35968 1/20 0.39
XDH P47989 2/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 1/20 0.36
F2 P00734 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL2077595 0.84 PKM (0.53) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL174800 0.84 PKM (0.53) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL12629482 0.84 PKM (0.53) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL4760141 0.81 PKM (0.50) PKMFNTAFNTBKDM4EKMT2A
Hydrochloric Acid SCHEMBL1743177 0.80 PKM (0.44) PKMFNTAFNTBKDM4EKDR
SCHEMBL2073708 0.80 PKM (0.49) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL4758003 0.80 PKM (0.49) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL2075577 0.80 PKM (0.49) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL2193196 0.79 PKM (0.55) PKMFNTAFNTBKDM4EKMT2A
SCHEMBL8234335 0.79 PKM (0.55) PKMFNTAFNTBKDM4EKMT2A

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-0178759-B1 ALKYNYL DERIVATIVESOF PYRAZOLO-(3,4-B)-PYRIDINE LACTAMS ICI AMERICAS INC. (US) 1990-01-10 EP disclosed
US-4705793-A Pyrazolo[3,4-b]pyrrolo[3,4-e]pyridine-5(1H)-one and 1-H-pyrazolo[3,4-b][1,6]naphthyridine-5(6H)-one derivations, useful as anti-anxiety agents ICI AMERICAS INC. (US) 1987-11-10 US disclosed
EP-0178759-A1 Alkynyl derivativesof pyrazolo-(3,4-b)-pyridine lactams ICI AMERICAS INC. (US) 1986-04-23 EP disclosed
US-4546104-A Pyrazolopyridine cycloalkanones and process for their preparation ICI AMERICAS INC. (US) 1985-10-08 US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 EP 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 PKM 534/4885FNTA 4635/4885FNTB 4570/4885

“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.