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Sugi Predict / Compounds / SCHEMBL10148294

SCHEMBL10148294

SCHEMBL10148294

CC(C)(C)OC(=O)NCC(COCc1ccccc1)n1c2ccccc2c2cc(C(N)=O)c(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.36
▸ KLK7 P49862 2/20 0.36
▸ KLK5 Q9Y337 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ AURKA O14965 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL399163 0.84 KDM4E (0.42) KDM4EALDH1A1GAAHPGDALOX15
Hydrochloric Acid SCHEMBL396848 0.83 KDM4E (0.41) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL396970 0.81 ATM (0.45) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL396969 0.81 ATM (0.45) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL10148276 0.75 KDM4E (0.53) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL10148134 0.75 KDM4E (0.45) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL399994 0.73 KDM4E (0.48) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL3442943 0.73 RCE1 (0.48) KDM4EALDH1A1GAAHPGDALOX15
Hydrochloric Acid SCHEMBL399260 0.73 KDM4E (0.48) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL10148282 0.72 GAA (0.52) KDM4EALDH1A1GAAHPGDALOX15

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 7 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-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-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 2021/4885ALDH1A1 416/4885GAA 4014/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 KDM4E 2021/4885ALDH1A1 416/4885GAA 4014/4885

“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.