SCHEMBL401113

SCHEMBL401113

CCCn1c2ccccc2c2cc(C(N)=O)c(N)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
TSHR P16473 4/20 0.61
ALDH1A1 P00352 4/20 0.61
ALOX15 P16050 3/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
EEF2K O00418 3/20 0.54
NPC1 O15118 3/20 0.52
RCE1 Q9Y256 1/20 0.49
CNR2 P34972 5/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL398445 0.90 KDM4E (0.74) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL399322 0.89 KDM4E (0.57) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL400404 0.89 KDM4E (0.57) HPGDTSHRALDH1A1ALOX15KDM4E
Hydrochloric Acid SCHEMBL398556 0.88 KDM4E (0.56) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL398683 0.87 KDM4E (0.55) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL399161 0.87 ALDH1A1 (0.55) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL396903 0.87 TSHR (0.55) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL398630 0.87 KDM4E (0.55) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL398266 0.86 KDM4E (0.54) HPGDTSHRALDH1A1ALOX15KDM4E
SCHEMBL398450 0.85 ALDH1A1 (0.53) HPGDTSHRALDH1A1ALOX15KDM4E

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 HPGD 1661/4885TSHR 1997/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 HPGD 1661/4885TSHR 1997/4885ALDH1A1 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.