SCHEMBL2905030

SCHEMBL2905030

Cc1ccc(CNc2ccc3c(Nc4cccc5[nH]ccc45)cccc3n2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CCR4 P51679 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 5/20 0.37
TSHR P16473 1/20 0.36
NPY5R Q15761 1/20 0.36
RET P07949 1/20 0.35
MTOR P42345 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
ELANE P08246 1/20 0.34
SLC2A1 P11166 1/20 0.33
TRPC5 Q9UL62 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
SCHEMBL2902338 0.89 ELANE (0.39) EGFRPDGFRBKDRNPC1RAB9A
SCHEMBL2902277 0.87 NPC1 (0.39) EGFRPDGFRBKDRNPC1RAB9A
SCHEMBL2908566 0.85 NPC1 (0.36) EGFRPDGFRBKDRNPC1RAB9A
SCHEMBL2908410 0.83 NPC1 (0.46) EGFRKDRNPC1RAB9AHTT
SCHEMBL2906805 0.81 NPC1 (0.46) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2908916 0.80 TGFBR1 (0.42) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2908637 0.80 GSK3A (0.47) PDGFRBKDRRET
SCHEMBL2907467 0.79 NPC1 (0.43) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2901522 0.79 RAB9A (0.41) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2902008 0.79 LMNA (0.45) EGFRKDRNPC1RAB9AHTT

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.