SCHEMBL2274347

SCHEMBL2274347

COc1ccccc1C1(C#N)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK10 P53779 4/20 0.41
MAPK8 P45983 3/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPY5R Q15761 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL17310281 0.88 ADRA1D (0.42) ADRA1DADRA1AADRA1BMAPTSMN1; SMN2
SCHEMBL2273364 0.87 MAPK10 (0.43) MAPK10MAPK8ALDH1A1MAPK1
SCHEMBL12369463 0.83 CA12 (0.46) MAPK10MAPK8DRD2FLT3CDK2
SCHEMBL12369465 0.82 MAPK10 (0.47) MAPK10MAPK8MAPK1DRD2
SCHEMBL2270629 0.80 MAPK10 (0.45) MAPTMAPK10MAPK8
SCHEMBL2273841 0.79 MAPK10 (0.42) MAPK10MAPK8GAAMAPK1
SCHEMBL2272272 0.79 MAPK10 (0.39) MAPK10MAPK8FLT3
SCHEMBL12369467 0.78 MAPK10 (0.49) MAPK10MAPK8DRD2TRPV1
SCHEMBL12394906 0.78 MAPK10 (0.39) MAPK10MAPK8FLT3
SCHEMBL14902439 0.76 ADRA1D (0.51) ADRA1DADRA1AADRA1BSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US claimed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 ADRA1D 2515/4885ADRA1A 2085/4885ADRA1B 1471/4885

“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.