SCHEMBL4776347

SCHEMBL4776347

CCn1ncc2c(-c3cncc(C)c3)c(C#N)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.34
PIP4K2A P48426 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
GGPS1 O95749 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
PDE5A O76074 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4776416 0.85 MAPT (0.42) CYP11B2CYP11B1MAPTTSHRRECQL
SCHEMBL5370268 0.84 CYP11B1 (0.37) CYP11B2CYP11B1KDM4EALDH1A1HPGD
SCHEMBL27682206 0.83 CYP11B1 (0.36) CYP11B2CYP11B1KDM4EMAPTTSHR
SCHEMBL4772747 0.82 CYP11B1 (0.36) CYP11B2CYP11B1KDM4EADORA1ADORA2A
SCHEMBL4778781 0.81 MAPT (0.39) CYP11B2CYP11B1MAPTTSHRRECQL
SCHEMBL4778595 0.80 PDE4B (0.44) KDM4EMAPTTSHRNPSR1ALDH1A1
SCHEMBL4775092 0.78 TSPO (0.35) CYP11B2CYP11B1KDM4EMAPTALDH1A1
SCHEMBL4775101 0.78 TSPO (0.35) CYP11B2CYP11B1KDM4EMAPTALDH1A1
SCHEMBL4772265 0.78 GRM5 (0.53) KDM4EMAPTTSHRRECQLNPSR1
SCHEMBL1818787 0.76 MAPT (0.40) CYP11B2CYP11B1KDM4EMAPTTSHR

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-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
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO 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 CYP11B2 407/4885CYP11B1 537/4885KDM4E 2228/4885

“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.