SCHEMBL398453

SCHEMBL398453

C=C(C)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
ATM Q13315 1/20 0.56
EEF2K O00418 3/20 0.49
RCE1 Q9Y256 1/20 0.47
EEF2 P13639 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKB O14920 1/20 0.40
TSPO P30536 1/20 0.39
LMNA P02545 1/20 0.38
CTNNB1 P35222 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL399852 0.88 KDM4E (0.58) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL399428 0.86 KDM4E (0.56) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL398445 0.85 KDM4E (0.74) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL401113 0.83 HPGD (0.61) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL399247 0.83 KDM4E (0.53) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL13105851 0.83 KDM4E (0.53) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL399439 0.82 KDM4E (0.57) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL398291 0.82 KDM4E (0.57) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL399322 0.82 KDM4E (0.57) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL400404 0.82 KDM4E (0.57) TSHRKDM4EALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 US disclosed
WO-2007097981-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-30 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 (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-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 TSHR 1997/4885KDM4E 2021/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 TSHR 1997/4885KDM4E 2021/4885ALDH1A1 416/4885

“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.