SCHEMBL4777908

SCHEMBL4777908

CCn1ncc2c(-c3cncc(OC)c3)c(C=O)c(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
METAP2 P50579 1/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 1/20 0.36
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAT2A P31153 1/20 0.35
FYN P06241 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL4777987 0.88 MAT2A (0.36) CYP11B1CYP11B2METAP2AKT1AKT2
SCHEMBL4777970 0.88 MAT2A (0.36) CYP11B1CYP11B2METAP2AKT1AKT2
SCHEMBL4776509 0.87 KDM4E (0.35) CYP11B1CYP11B2KMT2APSEN1PSEN2
SCHEMBL4774431 0.86 KDM4E (0.37) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4774540 0.86 KDM4E (0.35) CYP11B2KMT2AKDM4EALDH1A1MAPT
SCHEMBL4772590 0.85 KDM4E (0.41) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL4777489 0.84 TBXAS1 (0.44) METAP2KMT2AKDM4EALDH1A1MAPT
SCHEMBL4777728 0.82 KDM4E (0.44) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL5118003 0.80 PIK3CA (0.39) KMT2AMAT2AKDM4EALDH1A1MAPT
SCHEMBL4772747 0.78 CYP11B1 (0.36) CYP11B1CYP11B2KMT2AKDM4EALDH1A1

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
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 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 (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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A CYP11B1 537/4885CYP11B2 407/4885METAP2 1888/4885

“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.