SCHEMBL400404

SCHEMBL400404

NC(=O)c1cc2c3ccccc3n(CCO)c2nc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ATM Q13315 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
EEF2K O00418 4/20 0.49
RCE1 Q9Y256 1/20 0.47
IKBKB O14920 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CDC7 O00311 1/20 0.41
EEF2 P13639 1/20 0.41
NPC1 O15118 3/20 0.39
PTGES O14684 1/20 0.39
PTGER4 P35408 1/20 0.39
FABP3 P05413 1/20 0.38

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
SCHEMBL396903 0.93 TSHR (0.55) KDM4EATMALDH1A1GAAHPGD
SCHEMBL399322 0.90 KDM4E (0.57) KDM4EATMALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL398556 0.89 KDM4E (0.56) KDM4EATMALDH1A1GAAHPGD
SCHEMBL401113 0.89 HPGD (0.61) KDM4EATMALDH1A1GAAHPGD
SCHEMBL398630 0.88 KDM4E (0.55) KDM4EATMALDH1A1GAAHPGD
SCHEMBL398266 0.87 KDM4E (0.54) KDM4EATMALDH1A1GAAHPGD
SCHEMBL398445 0.86 KDM4E (0.74) KDM4EATMALDH1A1GAAHPGD
SCHEMBL399852 0.86 KDM4E (0.58) KDM4EATMALDH1A1GAAHPGD
SCHEMBL398683 0.86 KDM4E (0.55) KDM4EATMALDH1A1GAAHPGD
SCHEMBL399161 0.86 ALDH1A1 (0.55) KDM4EATMALDH1A1GAAHPGD

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 KDM4E 2021/4885ATM 3210/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 KDM4E 2021/4885ATM 3210/4885ALDH1A1 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.