SCHEMBL2901759

SCHEMBL2901759

Cc1nc[nH]c1CNc1cccc2nc(Nc3cccc(C4CC4)c3)ccc12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
AURKA O14965 3/20 0.32
RPS6KB1 P23443 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ACP1 P24666 2/20 0.31
BRAF P15056 2/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
NTRK1 P04629 1/20 0.31
MCHR1 Q99705 1/20 0.31
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
BTK Q06187 2/20 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
SCHEMBL2903153 0.82 USP1 (0.35) AURKARPS6KB1ACP1NTRK1USP1
SCHEMBL2904343 0.78 BTK (0.36) ACP1BTK
SCHEMBL2906940 0.76 IGF1R (0.34) MAPTACP1USP1WDR48
SCHEMBL2904967 0.74 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL2901520 0.71 ACP1 (0.46) MAPTMEN1KMT2AACP1
SCHEMBL2901922 0.68 MAPT (0.40) MAPTRECQLMEN1POLBKMT2A
SCHEMBL2907384 0.61 QPCT (0.34) MAPTMEN1KMT2ANTRK1
SCHEMBL1616286 0.61 PFKFB3 (0.37)
SCHEMBL26110456 0.60 MEN1 (0.46) MAPTMEN1KMT2ABRAF
SCHEMBL19690891 0.60 KMT2A (0.44) MAPTRECQLRAB9AMEN1KMT2A

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 MAPT 1716/4885NPC1 1573/4885RECQL 74/4885

“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.