SCHEMBL4656010

SCHEMBL4656010

N#CCC(=O)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ SMARCA2 P51531 2/20 0.37
▸ SMARCA4 P51532 2/20 0.37
▸ LOX P28300 1/20 0.37
▸ LOXL3 P58215 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPA1 O75762 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
SCHEMBL2686060 0.80 KCNH2 (0.38) FFAR1SMARCA2SMARCA4KCNH2PROKR1
SCHEMBL30866516 0.79 GSK3B (0.48) PREPRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL4101750 0.79 GSK3B (0.48) PREPRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL6504215 0.77 LOX (0.48) PREPCYP11B1CYP11B2RECQLTAS1R3
SCHEMBL29740122 0.77 GSK3B (0.50) RECQLTAS1R3TAS1R1TAS1R2FFAR1
SCHEMBL5860112 0.77 TAS1R3 (0.44) CYP11B1CYP11B2RECQLTAS1R3TAS1R1
SCHEMBL12807872 0.77 RECQL (0.44) PREPCYP11B1CYP11B2RECQLTAS1R3
SCHEMBL1886203 0.77 GSK3B (0.50) RECQLTAS1R3TAS1R1TAS1R2FFAR1
SCHEMBL16632312 0.76 VNN1 (0.43) SMARCA2SMARCA4LOXLOXL2KCNH2
SCHEMBL246891 0.76 PREP (0.53) PREPCYP11B1CYP11B2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488519-B1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PF MEDICAMENT (FR) 2015-06-10 — — EP disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 — — US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 — — US disclosed
CN-101405289-A Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH CORP (US) 2009-04-08 — — CN disclosed
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 — — EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 — — WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 — — 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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 PREP 1983/4885CYP11B1 685/4885CYP11B2 504/4885
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS PREP 2239/4885CYP11B1 911/4885CYP11B2 1125/4885

“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.

Send feedback