SCHEMBL3433648

SCHEMBL3433648

CC(C)(C)OC(=O)NCC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.41
EGFR P00533 2/20 0.41
RAF1 P04049 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TAOK3 Q9H2K8 4/20 0.38
TAOK1 Q7L7X3 3/20 0.38
GBA1 P04062 2/20 0.38
HPGDS O60760 1/20 0.38
MAPT P10636 1/20 0.37
PFKFB3 Q16875 1/20 0.37
CA9 Q16790 1/20 0.37
NPY1R P25929 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3415257 0.83 HPGDS (0.46) EGFRMEN1KMT2AALDH1A1GAA
SCHEMBL7601995 0.82 BRS3 (0.39) EGFRMEN1KMT2AHPGDSMAPT
SCHEMBL4106006 0.82 HPGDS (0.41) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL3413128 0.82 PLAU (0.41) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL4109902 0.81 MAPT (0.44) MEN1KMT2AALDH1A1HPGDSMAPT
SCHEMBL3412973 0.81 BRS3 (0.47) MEN1KMT2AALDH1A1GAAHPGDS
SCHEMBL3409104 0.80 HPGDS (0.39) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL3415639 0.80 NPC1 (0.47) MEN1KMT2ATAOK3TAOK1KDM4E
SCHEMBL3431583 0.80 NR1I3 (0.42) MEN1KMT2AHPGDSMAPTNPY1R
SCHEMBL3408320 0.79 HPGDS (0.37) MEN1KMT2AALDH1A1GAAHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US 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 (1 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A AURKB 1344/4885EGFR 1621/4885RAF1 2571/4885

“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.