SCHEMBL4524302

SCHEMBL4524302

CCc1nn(-c2ccccc2)c(N)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
HPGD P15428 4/20 0.52
LMNA P02545 1/20 0.49
SRC P12931 1/20 0.47
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NR4A3 Q92570 1/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL2545006 0.90 GAA (0.56) GAAHPGDLMNASRCBRAF
SCHEMBL4521443 0.87 PDE4A (0.46) GAAHPGDLMNAALDH1A1MEN1
SCHEMBL10623704 0.86 GAA (0.44) GAAHPGDLMNAALDH1A1MAPK1
SCHEMBL14692506 0.86 HTT (0.48) GAAHPGDLMNAALDH1A1L3MBTL1
SCHEMBL4506277 0.85 LMNA (0.65) GAAHPGDLMNAALDH1A1MAPK1
SCHEMBL4518495 0.84 PTGS2 (0.42) GAAHPGDLMNAPOLBKMT2A
SCHEMBL14483300 0.83 MEN1 (0.61) LMNAALDH1A1MAPK1L3MBTL1POLB
SCHEMBL4523450 0.81 RAB9A (0.55) GAAHPGDLMNAALDH1A1MEN1
SCHEMBL5067031 0.80 HPGD (0.73) HPGDLMNASRCBRAFKDR
SCHEMBL7101284 0.79 GAA (0.65) GAAHPGDLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease ASTRAZENECA AB (SE) 2009-02-26 US disclosed
CN-101321758-A Novel 5,6-dihydropyrazolo[3,4-e] [l,4]diazepin-4 (ih) -one derivatives for the treatment of asthma and chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-12-10 CN disclosed
EP-1931672-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. AstraZeneca AB (SE) 2008-06-18 EP disclosed
WO-2007040435-A1 NOVEL 5,6-DIHYDROPYRAZOLO[3,4-E] [L,4]DIAZEPIN-4 (IH) -ONE DERIVATIVES FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE. ASTRAZENECA AB (SE) 2007-04-12 WO 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-20090054413-A1 Novel 5,6-Dihydropyrazolo[3,4-E] [L,4]Diazepin-4 (IH) -One Derivatives for the Treatment of Asthma and Chronic Obstructive Pulmonary Disease PDE4B, PDE4A, PDE12 GAA 1597/4885HPGD 55/4885LMNA 2932/4885

“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.