SCHEMBL644231

SCHEMBL644231

Cc1[nH]cnc1Cc1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.59
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR5A P47898 2/20 0.40
DAO P14920 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
MMP2 P08253 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL642976 0.86 HTR3A (0.54) HTR3AL3MBTL1KDM4EMAPTHRH2
SCHEMBL11047774 0.75 HTR3A (0.46) HTR3AL3MBTL1HRH2HRH1HRH4
SCHEMBL9519546 0.72 GABRR1 (0.41) HTR3AL3MBTL1HRH2HRH1HRH4
SCHEMBL642623 0.71 ALDH1A1 (0.47) HTR3AALDH1A1HRH2HRH1HRH4
SCHEMBL9864182 0.71 PSMD14 (0.44) ALDH1A1L3MBTL1DAOKDM4EMAPT
SCHEMBL11047575 0.71 TAAR1 (0.51) HTR3AL3MBTL1HRH2HRH1HRH4
SCHEMBL30003476 0.70 TSHR (0.55) ALDH1A1L3MBTL1DAOKDM4EMAPT
SCHEMBL643810 0.70 KDM4E (0.54) ALDH1A1L3MBTL1HTR5ADAOKDM4E
SCHEMBL216373 0.70 KDM4E (0.54) ALDH1A1L3MBTL1HTR5ADAOKDM4E
SCHEMBL1154872 0.70 TSHR (0.55) ALDH1A1L3MBTL1DAOKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US claimed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP claimed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US claimed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO claimed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US claimed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO claimed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO disclosed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 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-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 HTR3A 2291/4885ALDH1A1 899/4885L3MBTL1 4518/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 HTR3A 28/4885ALDH1A1 1423/4885L3MBTL1 3914/4885

“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.