SCHEMBL397707

SCHEMBL397707

NC(=O)c1cc2c3ccccc3nc-2[nH]c1N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IKBKB O14920 1/20 0.44
PARP1 P09874 2/20 0.44
GRM2 Q14416 8/20 0.44
GUSB P08236 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
CHEK2 O96017 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL397507 0.90 KDM4E (0.51) HPGDLMNASMN1; SMN2PARP1GUSB
SCHEMBL5063415 0.84 HPGD (0.44) HPGDNCOA1NCOA3LMNASMN1; SMN2
SCHEMBL15101407 0.72 GRM2 (0.50) NCOA1NCOA3IKBKBPARP1GRM2
Hydrochloric Acid SCHEMBL4972256 0.71 GRM2 (0.44) NCOA1NCOA3GRM2CHEK2
SCHEMBL28691005 0.70 NCOA1 (0.60) NCOA1NCOA3LMNASMN1; SMN2IKBKB
SCHEMBL30412663 0.69 RAB9A (0.75) HPGDSMN1; SMN2PARP1KDM4ERAB9A
SCHEMBL3698974 0.69 RAB9A (0.75) HPGDSMN1; SMN2PARP1KDM4ERAB9A
SCHEMBL1336333 0.68 HPGD (0.50) HPGDLMNASMN1; SMN2PARP1GUSB
SCHEMBL27461815 0.68 KDM4E (0.54) HPGDSMN1; SMN2IKBKBPARP1KDM4E
SCHEMBL2422474 0.67 HPGD (0.65) HPGDLMNASMN1; SMN2KDM4ERAB9A

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 12 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 claimed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US claimed
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 claimed
EP-1989203-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP claimed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 US claimed
WO-2007097981-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
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-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
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 1661/4885NCOA1 367/4885NCOA3 681/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 HPGD 1661/4885NCOA1 367/4885NCOA3 681/4885

“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.