SCHEMBL3239095

SCHEMBL3239095

Cc1csc(NC(=O)Cn2c3c(c4ccccc42)CCNCC3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
USP2 O75604 2/20 0.47
ALOX15 P16050 2/20 0.47
POLB P06746 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
Hydrochloric Acid SCHEMBL6475898 0.99 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6474182 0.86 ALOX15 (0.43) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6475912 0.86 HSD17B10 (0.43) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6481965 0.86 KRAS (0.46) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
SCHEMBL6479757 0.85 USP2 (0.44) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
SCHEMBL6476134 0.85 KDM4E (0.45) SMN1; SMN2NPSR1RXFP1HSD17B10KDM4E
SCHEMBL6484143 0.83 NPC1 (0.45) SMN1; SMN2HSD17B10KDM4EUSP2ALOX15
SCHEMBL6475001 0.82 USP2 (0.45) SMN1; SMN2NPSR1HSD17B10KDM4EUSP2
SCHEMBL6480670 0.82 USP2 (0.45) SMN1; SMN2NPSR1HSD17B10KDM4EUSP2
SCHEMBL6481063 0.80 KDM4E (0.45) SMN1; SMN2HSD17B10KDM4EUSP2ALOX15

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 SMN1; SMN2 4536/4885NPSR1 48/4885RXFP1 417/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SMN1; SMN2 4536/4885NPSR1 48/4885RXFP1 417/4885
US-20140213577-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SMN1; SMN2 4536/4885NPSR1 48/4885RXFP1 417/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 SMN1; SMN2 4536/4885NPSR1 48/4885RXFP1 417/4885

“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.