SCHEMBL2066449

SCHEMBL2066449

C1=CN[C](N2CCNCC2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.38
HTR3E A5X5Y0 5/20 0.38
HTR3B O95264 5/20 0.38
HTR3A P46098 5/20 0.38
HTR3D Q70Z44 5/20 0.38
HTR3C Q8WXA8 5/20 0.38
SIGMAR1 Q99720 4/20 0.38
HRH1 P35367 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
NCF1 P14598 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL1681227 0.81 TDP1 (0.33) HRH1USP2SMN1; SMN2TDP1ALDH1A1
SCHEMBL2066585 0.78 KDM4E (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2321070 0.78 LMNA (0.36) USP2ALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL3833595 0.73 ADRB1 (0.39) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1420015 0.69 ADRB1 (0.36) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1248486 0.68 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27262548 0.68 HTR3A (0.35) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4421139 0.67 ADRB2 (0.36) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4421143 0.67 ADRB2 (0.40) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6631277 0.64 CHRNB2 (0.37) HTR3AHRH1USP2SMN1; SMN2TDP1

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 8 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-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP 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
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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 (3 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 ADRB1 1361/4885HTR3E 3015/4885HTR3B 3190/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ADRB1 1129/4885HTR3E 2911/4885HTR3B 3144/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 ADRB1 1129/4885HTR3E 2911/4885HTR3B 3144/4885

“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.