SCHEMBL2886126

SCHEMBL2886126

COc1ccc(-c2n[nH]c(=O)c3ncccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
DYRK1A Q13627 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CCNE2 O96020 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ROCK1 Q13464 3/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL2887372 0.90 KDM4E (0.54) GSK3AGSK3BDYRK1AKDM4EALDH1A1
SCHEMBL7367420 0.85 DYRK1A (0.49) GSK3AGSK3BDYRK1AALDH1A1PDE4A
SCHEMBL7366032 0.84 MAPK1 (0.49) KDM4EALDH1A1NPC1HPGDROCK1
SCHEMBL3652876 0.82 NPSR1 (0.64) DYRK1AKDM4EALDH1A1NPC1HPGD
SCHEMBL7368649 0.82 MAPK1 (0.70) KDM4EALDH1A1HPGDROCK1MAPK1
SCHEMBL30719652 0.81 ATM (0.67) GSK3AGSK3BDYRK1AKDM4EALDH1A1
SCHEMBL710318 0.81 ATM (0.67) GSK3AGSK3BDYRK1AKDM4EALDH1A1
SCHEMBL7362195 0.78 MAP2K4 (0.57) KDM4EALDH1A1HPGDPDE4AROCK1
SCHEMBL7362532 0.77 MAP2K4 (0.53) KDM4EROCK1MAPK1ROCK2PARP1
SCHEMBL7370355 0.76 PDE4A (0.48) GSK3AGSK3BDYRK1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 GSK3A 3382/4885GSK3B 3664/4885DYRK1A 673/4885

“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.