SCHEMBL4771941

SCHEMBL4771941

CCn1ncc2c(-c3cncc(C)c3)c(C(=O)NC3Cc4ccccc4C3)c(-c3ccccc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
SSTR5 P35346 1/20 0.37
WNT1 P04628 4/20 0.36
DYRK1A Q13627 4/20 0.36
KDM5B Q9UGL1 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL4769463 0.85 FABP3 (0.38) PDE4B
SCHEMBL4772861 0.84 TACR3 (0.42) TACR2TACR3OPRM1
SCHEMBL4774506 0.83 PDE4B (0.42) BCL2BCL2L1MCL1BCL2A1DYRK1A
SCHEMBL4776614 0.82 KDM4E (0.46) NPC1LMNARAB9APDE4B
SCHEMBL4794050 0.82 CNR1 (0.45) NPC1RAB9APIK3CAPDE4B
SCHEMBL27682184 0.77 KDM4E (0.36) GBA1PSEN1PSEN2APH1BNCSTN
SCHEMBL4772332 0.77 RXRA (0.40) NPC1RAB9APDE4B
SCHEMBL4776352 0.76 KMT2A (0.37) NPC1LMNARAB9APDE4B
SCHEMBL4776509 0.76 KDM4E (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1814098 0.76 HPGD (0.36) NPC1RAB9APDE4B

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 GBA1 1911/4885PSEN1 1847/4885PSEN2 2525/4885

“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.