SCHEMBL3316178

SCHEMBL3316178

COc1ccc(OC(=O)Nc2ccc3nc(NCc4ccccc4OC)ccc3c2)cc1.COc1ccccc1CC1(N)C=Cc2cc(N)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CSNK1D P48730 1/20 0.34
HTR1A P08908 3/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ACP1 P24666 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
KARS1 Q15046 1/20 0.33

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
SCHEMBL3270944 0.83 MAPT (0.49) MAPTMEN1KMT2ACSNK1DHTR1A
SCHEMBL3267206 0.75 HIF1A (0.57) MAPTMEN1KMT2ACSNK1DMAPK1
SCHEMBL3268659 0.73 NPC1 (0.57) MAPTMEN1KMT2ATP53
SCHEMBL3404989 0.71 HTR1A (0.54) MAPTMEN1KMT2AHTR1AMAPK1
SCHEMBL3267065 0.68 MEN1 (0.53) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL3402970 0.68 HIF1A (0.51) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL3405744 0.65 MEN1 (0.50) MAPTMEN1KMT2ALMNATP53
SCHEMBL30748547 0.65 RET (0.39) MAPK1CYP3A4
SCHEMBL3266721 0.65 CYP1A2 (0.47) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL3406201 0.64 CHEK1 (0.49) MAPTCSNK1DMAPK1ABL1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885MEN1 933/4885KMT2A 817/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E MAPT 1853/4885MEN1 933/4885KMT2A 817/4885

“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.