SCHEMBL2901732

SCHEMBL2901732

Cc1cc2cccc(Nc3ccc4c(NCc5cccc6[nH]ccc56)cccc4n3)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
ELANE P08246 1/20 0.38
CACNA2D1 P54289 1/20 0.33
SLC2A1 P11166 1/20 0.33
IGF1R P08069 1/20 0.32
EPHB4 P54760 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ADORA1 P30542 1/20 0.31
RET P07949 1/20 0.31
BRD4 O60885 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2904800 0.88 EGFR (0.50) EGFRPDGFRBKDRSLC2A1IGF1R
SCHEMBL2902338 0.81 ELANE (0.39) EGFRPDGFRBKDRELANECACNA2D1
SCHEMBL2906940 0.80 IGF1R (0.34) EGFRKDRELANESLC2A1IGF1R
SCHEMBL2907955 0.80 ADRA1A (0.48) KDRSLC2A1IGF1RRAB9A
SCHEMBL2907384 0.79 QPCT (0.34) KDRELANESLC2A1IGF1RSMN1; SMN2
SCHEMBL2901477 0.79 BRD4 (0.32) EGFRPDGFRBKDRELANECACNA2D1
SCHEMBL2901473 0.79 NTRK1 (0.42) EGFRKDRSLC2A1IGF1RNPC1
SCHEMBL2904724 0.78 HCRTR1 (0.33) EGFRPDGFRBKDRELANECACNA2D1
SCHEMBL2907882 0.77 POLB (0.44) NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL2908075 0.76 ACP1 (0.48) SLC2A1ADORA1TP53MAPK1SMN1; SMN2

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 EGFR 3211/4885PDGFRB 1812/4885KDR 3891/4885

“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.