SCHEMBL3402970

SCHEMBL3402970

COc1ccccc1CNc1ccc2cc(NC(=O)NC(C)C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.45
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C19 P33261 6/20 0.43
USP2 O75604 5/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAP2K7 O14733 1/20 0.42
MAPK1 P28482 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL3403276 0.89 CYP1A2 (0.47) HIF1AMEN1KMT2ALMNACYP1A2
SCHEMBL3267206 0.87 HIF1A (0.57) HIF1AMEN1KMT2ALMNACYP1A2
SCHEMBL3267065 0.83 MEN1 (0.53) HIF1AMEN1KMT2ALMNACYP1A2
SCHEMBL3408313 0.82 MAPT (0.55) HIF1AMEN1KMT2ATSHRMAPT
SCHEMBL3407930 0.82 ALDH1A1 (0.49) HIF1AABL1MAPTMAPK1ALDH1A1
SCHEMBL3268659 0.82 NPC1 (0.57) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL3270944 0.82 MAPT (0.49) HIF1AMEN1KMT2ALMNACYP1A2
SCHEMBL3406201 0.80 CHEK1 (0.49) HIF1AABL1MAPTMAPK1
SCHEMBL3402633 0.79 EPHX2 (0.44) HIF1AABL1MAPTMAPK1
SCHEMBL3268616 0.78 PDGFRB (0.53) HIF1AMEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP claimed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO claimed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B HIF1A 1296/4885MEN1 3729/4885KMT2A 1049/4885

“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.