SCHEMBL397710

SCHEMBL397710

NC(=O)c1cc2c3ccccc3n(C(=O)c3ccccc3)c2nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RX4 Q99571 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL398382 0.85 RCE1 (0.52) RCE1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL399978 0.82 RCE1 (0.58) RCE1MEN1KMT2AMAPTALDH1A1
SCHEMBL396899 0.81 RCE1 (0.49) RCE1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL400607 0.81 RCE1 (0.49) RCE1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL400611 0.80 RCE1 (0.55) RCE1ALDH1A1HPGDKDM4EGAA
SCHEMBL3442888 0.80 RCE1 (0.51) RCE1MEN1KMT2AMAPTALDH1A1
SCHEMBL400610 0.78 KDM4E (0.44) RCE1ALDH1A1HPGDKDM4EGAA
SCHEMBL14457508 0.77 RCE1 (0.41) RCE1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL400114 0.77 KDM4E (0.56) RCE1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL400001 0.76 RCE1 (0.44) RCE1MEN1KMT2AMAPTALDH1A1

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 15 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
EP-1989203-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP 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
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 RCE1 596/4885MEN1 777/4885KMT2A 1063/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 RCE1 596/4885MEN1 777/4885KMT2A 1063/4885

“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.