SCHEMBL2067572

SCHEMBL2067572

CC(C)CNc1[c]nccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.35
IDO1 P14902 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDH1 O75874 1/20 0.33
ACP1 P24666 1/20 0.33
HRH4 Q9H3N8 4/20 0.32
TLR7 Q9NYK1 2/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SLC29A1 Q99808 1/20 0.32
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
MAPK14 Q16539 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
SCHEMBL4631079 0.83 ADORA2A (0.31)
SCHEMBL1388526 0.79
SCHEMBL2068624 0.76 KDM4E (0.38) IDO1KDM6BKDM4CALDH1A1TLR7
SCHEMBL2067385 0.75 TDP1 (0.37) IDO1ALDH1A1ACP1TLR7
SCHEMBL5487787 0.75
SCHEMBL9337481 0.74 KCNH3 (0.37)
SCHEMBL1665147 0.74 IDO1 (0.39) ESR1IDO1KDM6BKDM4CALDH1A1
SCHEMBL4720427 0.73 NPC1 (0.41) KDM6BKDM4CALDH1A1ACP1TLR7
SCHEMBL933411 0.73 CYP2C19 (0.49) ALDH1A1CYP2C19
SCHEMBL4280552 0.72 KDM4E (0.40) ALDH1A1CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ESR1 4091/4885IDO1 2047/4885KDM6B 3586/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ESR1 4091/4885IDO1 2047/4885KDM6B 3586/4885

“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.