SCHEMBL7521074

SCHEMBL7521074

CCCc1[nH]c(=O)c(C#N)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.58
PDE3A Q14432 3/20 0.58
KDM4E B2RXH2 12/20 0.51
HPGD P15428 8/20 0.51
ALDH1A1 P00352 8/20 0.51
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.42
GALR3 O60755 1/20 0.42
DPYD Q12882 1/20 0.41
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL26780555 0.78 PDE3B (0.53) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL26784496 0.77 KDM4E (0.56) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL9341336 0.77 KDM4E (0.49) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL10853063 0.76 PDE3B (0.51) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL11018929 0.76 PDE3B (0.54) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL11025183 0.75 PDE3B (0.50) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL11025198 0.75 PDE3B (0.50) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL214847 0.74 KDM4E (0.57) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL10854285 0.74 PDE3A (0.55) PDE3BPDE3AKDM4EHPGDALDH1A1
SCHEMBL11021105 0.74 PDE3B (0.49) PDE3BPDE3AKDM4EHPGDALDH1A1

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
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
EP-0945434-B1 PROCESS FOR PRODUCING HALOGENATED HETEROARYL COMPOUNDS BANYU PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-6114524-A REACTING A HYDROXY SUBSTITUTED-6-MEMBERED HETEROCYCLIC RING CONTAINING 1 OR 2 OR 3 NITROGEN ATOMS IN THE RING WITH TETRAALKYLAMMONIUM HALIDE IN PRESENCE OF PHOSPHORUS PENTAOXIDE IN MILD CONDITIONS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-09-05 US disclosed
EP-0945434-A1 PROCESS FOR PRODUCING HALOGENATED HETEROARYL COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES PDE3A, PDE3B, PTGIS PDE3B 2/4885PDE3A 1/4885KDM4E 846/4885

“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.