SCHEMBL2907955

SCHEMBL2907955

Cc1cc2cccc(Nc3ccc4c(NCc5cnc[nH]5)cccc4n3)c2o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.48
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
KDR P35968 1/20 0.35
MAP3K8 P41279 1/20 0.35
IGF1R P08069 2/20 0.34
SLC2A1 P11166 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 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
SCHEMBL2906940 0.83 IGF1R (0.34) KDRIGF1RSLC2A1
SCHEMBL2907882 0.82 POLB (0.44) TSHRRAB9A
SCHEMBL2901732 0.80 EGFR (0.41) KDRIGF1RSLC2A1RAB9A
SCHEMBL2907384 0.80 QPCT (0.34) KDRIGF1RSLC2A1
SCHEMBL2901473 0.80 NTRK1 (0.42) KDRIGF1RSLC2A1RAB9A
SCHEMBL2904800 0.75 EGFR (0.50) KDRIGF1RSLC2A1
SCHEMBL2908752 0.75 SLC2A1 (0.39) KDRIGF1RSLC2A1RAB9A
SCHEMBL2906630 0.73 ACP1 (0.40) KDRIGF1RSLC2A1TSHRRAB9A
SCHEMBL2906929 0.71 HRH4 (0.47) ADRA1AADRA2CADRA1DADRA1BTAAR1
SCHEMBL2906707 0.69 MAPT (0.46) TSHR

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 ADRA1A 11/4885ADRA2C 2/4885ADRA1D 6/4885

“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.