SCHEMBL4772747

SCHEMBL4772747

CCn1ncc2c(-c3cncc(C)c3)c(C=O)c(-c3ccc(F)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
TSPO P30536 1/20 0.34
GGPS1 O95749 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PTGS2 P35354 4/20 0.33
NAMPT P43490 1/20 0.33
PDE4B Q07343 1/20 0.33
PTGS1 P23219 2/20 0.32
KMT2A Q03164 1/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL4776509 0.90 KDM4E (0.35) CYP11B1CYP11B2ALDH1A1SIGMAR1PDE4B
SCHEMBL4775101 0.87 TSPO (0.35) CYP11B1CYP11B2TSPOGGPS1ALDH1A1
SCHEMBL4775092 0.87 TSPO (0.35) CYP11B1CYP11B2TSPOGGPS1ALDH1A1
SCHEMBL4776101 0.86 PSEN1 (0.34) CYP11B1CYP11B2SIGMAR1ADORA2AADORA1
SCHEMBL5370268 0.84 CYP11B1 (0.37) CYP11B1CYP11B2TSPOGGPS1ALDH1A1
SCHEMBL4772232 0.83 MAPT (0.35) ALDH1A1SIGMAR1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4776092 0.83 SIGMAR1 (0.34) SIGMAR1
SCHEMBL27682206 0.83 CYP11B1 (0.36) CYP11B1CYP11B2GGPS1ALDH1A1SIGMAR1
SCHEMBL4776347 0.82 CYP11B2 (0.38) CYP11B1CYP11B2GGPS1ALDH1A1SIGMAR1
SCHEMBL4778595 0.82 PDE4B (0.44) ALDH1A1PDE4BKMT2AKDM4ENPC1

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 3 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
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 407/4885TSPO 4169/4885

“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.