SCHEMBL2906836

SCHEMBL2906836

Cc1ccc(CNc2ccc3c(NCc4cccc5c4OCO5)cccc3n2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
ALOX15 P16050 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL2902338 0.82 ELANE (0.39) TSHRMAPK1HSD17B10LMNANPC1
SCHEMBL2902657 0.82 ACP1 (0.47) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2906805 0.81 NPC1 (0.46) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2904364 0.80 NPC1 (0.42) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2901484 0.80 CYP3A4 (0.43) ALDH1A1HPGDMAPK1KDM4EMEN1
SCHEMBL2901363 0.79 HRH4 (0.45) TSHRNPC1RAB9AHRH4
SCHEMBL2908631 0.79 NPC1 (0.47) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2906853 0.78 KDM4E (0.54) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2908205 0.78 NPC1 (0.41) TSHRALDH1A1HPGDMAPK1HSD17B10
SCHEMBL2902503 0.78 NPC1 (0.41) TSHRALDH1A1HPGDMAPK1HSD17B10

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 10 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 claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
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 TSHR 2566/4885ALDH1A1 872/4885HPGD 3225/4885

“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.