SCHEMBL2901477

SCHEMBL2901477

CC1Cc2cccc(Nc3ccc4c(NCc5cccc6[nH]ccc56)cccc4n3)c2O1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PARP1 P09874 3/20 0.31
BCHE P06276 1/20 0.31
EPHB4 P54760 1/20 0.31
ELANE P08246 1/20 0.31
EGFR P00533 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
CACNA2D1 P54289 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
TTBK1 Q5TCY1 1/20 0.30
TTBK2 Q6IQ55 1/20 0.30

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
SCHEMBL2904724 0.82 HCRTR1 (0.33) HCRTR1HCRTR2EPHB4ELANEEGFR
SCHEMBL1616378 0.80 HCRTR1 (0.35) BRD4HCRTR1HCRTR2BCHEPIM1
SCHEMBL2901732 0.79 EGFR (0.41) BRD4HCRTR1HCRTR2EPHB4ELANE
SCHEMBL2904343 0.75 BTK (0.36) BRD4HCRTR1HCRTR2EPHB4PIM1
SCHEMBL1616104 0.74 HDAC6 (0.38) HCRTR1HCRTR2PARP1
SCHEMBL2907392 0.74 MTNR1A (0.38) HCRTR1HCRTR2TTBK1TTBK2
SCHEMBL2908075 0.74 ACP1 (0.48)
SCHEMBL2902338 0.73 ELANE (0.39) HCRTR1HCRTR2ELANEEGFRPDGFRB
SCHEMBL2905375 0.72 ACP1 (0.42)
SCHEMBL1616456 0.72 RET (0.36) HCRTR1HCRTR2

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 BRD4 308/4885HCRTR1 2575/4885HCRTR2 1119/4885

“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.