SCHEMBL1818787

SCHEMBL1818787

CCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RECQL P46063 1/20 0.40
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33

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 0.90 MAPT (0.42) MAPTTSHRNPSR1RECQLCYP11B2
SCHEMBL4771822 0.82 MAPT (0.35) MAPTTSHRNPSR1RECQLCYP11B2
SCHEMBL4770088 0.81 MAPT (0.34) MAPTTSHRNPSR1RECQLCYP11B2
SCHEMBL4778781 0.81 MAPT (0.39) MAPTTSHRNPSR1RECQLCYP11B2
SCHEMBL4771743 0.78 HTT (0.38) MAPTTSHRNPSR1RECQLSMN1; SMN2
SCHEMBL4771739 0.78 HTT (0.38) MAPTTSHRNPSR1RECQLSMN1; SMN2
SCHEMBL4770110 0.78 LMNA (0.53) MAPTTSHRNPSR1SMN1; SMN2ALDH1A1
SCHEMBL4777593 0.77 GLA (0.39) MAPTTSHRNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1818062 0.76 SMN1; SMN2 (0.35) MAPTTSHRNPSR1SMN1; SMN2ALDH1A1
SCHEMBL1818061 0.76 SMN1; SMN2 (0.35) MAPTTSHRNPSR1SMN1; SMN2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105510-A1 PROPHYLACTIC/AMELIORATING OR THERAPEUTIC AGENT FOR NON-ALCOHOLIC STEATOHEPATITIS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US claimed
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 claimed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
US-20110105510-A1 PROPHYLACTIC/AMELIORATING OR THERAPEUTIC AGENT FOR NON-ALCOHOLIC STEATOHEPATITIS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
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 (2 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 MAPT 2816/4885TSHR 1221/4885NPSR1 1241/4885
US-20110105510-A1 PROPHYLACTIC/AMELIORATING OR THERAPEUTIC AGENT FOR NON-ALCOHOLIC STEATOHEPATITIS PDE4A, CES1, PDE3A MAPT 4734/4885TSHR 3990/4885NPSR1 2174/4885

“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.