SCHEMBL4772359

SCHEMBL4772359

CCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
ADORA3 P0DMS8 4/20 0.44
PDE4B Q07343 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL4776614 0.91 KDM4E (0.46) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4776504 0.89 KDM4E (0.47) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4774023 0.88 MAPT (0.56) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4777728 0.88 KDM4E (0.44) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4772372 0.87 MAPT (0.47) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4770110 0.86 LMNA (0.53) KDM4EMAPTSMN1; SMN2LMNAMEN1
SCHEMBL4771734 0.85 ALDH1A1 (0.43) MAPTPDE4BSMN1; SMN2LMNAMEN1
SCHEMBL4770111 0.83 MAPT (0.49) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL27682201 0.82 KDM4E (0.36) KDM4EMAPTADORA3PDE4BSMN1; SMN2
SCHEMBL4772227 0.82 MAPT (0.42) KDM4EMAPTPDE4BSMN1; SMN2LMNA

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 KDM4E 2228/4885MAPT 2816/4885ADORA3 651/4885

“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.