SCHEMBL2908770

SCHEMBL2908770

COc1cccc(COc2cccc3nc(NCc4ccccc4OC)ccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP2C19 P33261 4/20 0.55
CYP2C9 P11712 3/20 0.55
USP2 O75604 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 1/20 0.53
ABCB1 P08183 7/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL2909572 0.92 CYP1A2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2907752 0.90 CYP1A2 (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2903182 0.86 ACP1 (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2250947 0.85 PLA2G1B (0.51) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2902087 0.85 CYP1A2 (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3267148 0.85 CYP1A2 (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2901490 0.84 PKM (0.49) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2253396 0.83 CYP1A2 (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2908289 0.82 SGMS2 (0.47) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2250681 0.81 NCF1 (0.55) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 LMNA 2311/4885CYP1A2 27/4885CYP3A4 339/4885

“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.