SCHEMBL2902528

SCHEMBL2902528

Cc1ccc(CNc2ccc3c(CNc4cccnc4)cccc3n2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ELANE P08246 1/20 0.37
HTR2C P28335 1/20 0.37
GSK3B P49841 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL2908631 0.89 NPC1 (0.47) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2902332 0.87 RAB9A (0.39) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2907933 0.84 NPC1 (0.44) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2901765 0.82 NPC1 (0.45) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2903146 0.80 POLB (0.46) RAB9ANPC1KDM4ETSHRALDH1A1
SCHEMBL3266968 0.80 RAB9A (0.47) RAB9ANPC1TSHRALDH1A1POLB
SCHEMBL2909843 0.80 NPC1 (0.46) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2249125 0.80 NPC1 (0.46) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2907999 0.80 NPC1 (0.46) RAB9ANPC1KDM4ETSHRLMNA
SCHEMBL2906781 0.78 ALDH1A1 (0.44) RAB9ANPC1TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN claimed
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
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN 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
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN disclosed
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
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN 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 RAB9A 1336/4885NPC1 1573/4885KDM4E 1488/4885

“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.