SCHEMBL3243025

SCHEMBL3243025

O=C(O)Cn1c2c(c3ccccc31)CC=NC=C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ GLA P06280 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTGDR2 Q9Y5Y4 4/20 0.44
▸ AKR1B10 O60218 2/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ AKR1A1 P14550 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ STAT3 P40763 1/20 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
SCHEMBL3237173 0.89 KDM4E (0.40) KDM4EGLAMEN1CASP1CASP7
SCHEMBL3235510 0.88 FABP4 (0.54) KDM4EGLAMEN1CASP1CASP7
SCHEMBL3235144 0.81 KDM4E (0.55) KDM4EGLAMEN1CASP1CASP7
SCHEMBL3229777 0.77 MYLK (0.39) KDM4EGLAMEN1KMT2AHSD17B10
SCHEMBL29358590 0.74 KDM4E (0.54) KDM4EGLAMEN1CASP1CASP7
SCHEMBL150053 0.73 KDM4E (1.00) KDM4EGLAMEN1CASP1CASP7
SCHEMBL29859932 0.73 KDM4E (1.00) KDM4EGLAMEN1CASP1CASP7
SCHEMBL4872138 0.70 KDM4E (0.45) KDM4EGLAMEN1CASP1CASP7
Cridanimod SCHEMBL3801665 0.69 GLA (1.00) KDM4EGLAMEN1CASP1CASP7
Cridanimod SCHEMBL3372087 0.69 GLA (1.00) KDM4EGLAMEN1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 — — US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 — — US disclosed
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-31 — — US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 — — US disclosed
US-8569287-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-29 — — US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 — — 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 (4 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-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885GLA 4053/4885MEN1 2100/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885GLA 4053/4885MEN1 2100/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885GLA 4053/4885MEN1 2100/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 KDM4E 710/4885GLA 4053/4885MEN1 2100/4885

“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.

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