SCHEMBL4777970

SCHEMBL4777970

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
GSK3A P49840 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35
METAP2 P50579 1/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK7 P50613 1/20 0.34
KDR P35968 1/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 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 1.00 MAT2A (0.36) MAT2ACYP11B1CYP11B2GSK3ACYP1A2
SCHEMBL1814098 0.88 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL1814100 0.88 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL4777908 0.88 CYP11B1 (0.39) MAT2ACYP11B1CYP11B2GSK3AMETAP2
SCHEMBL4776264 0.88 SMN1; SMN2 (0.33) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL4776271 0.88 SMN1; SMN2 (0.33) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL4769903 0.88 HPGD (0.34) HPGDNPC1RAB9ASMN1; SMN2KDR
SCHEMBL4769892 0.88 HPGD (0.34) HPGDNPC1RAB9ASMN1; SMN2KDR
SCHEMBL4772301 0.87 SMN1; SMN2 (0.39) HPGDNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL4772312 0.87 SMN1; SMN2 (0.39) HPGDNPC1RAB9ASMN1; SMN2ESR1

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 MAT2A 3361/4885CYP11B1 537/4885CYP11B2 407/4885

“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.