SCHEMBL642623

SCHEMBL642623

Cc1[nH]cnc1Cc1ccc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTR3A P46098 5/20 0.46
MEN1 O00255 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NR4A2 P43354 1/20 0.41
CYP3A4 P08684 2/20 0.40
PDE10A Q9Y233 1/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19263937 0.72 NR4A2 (0.51) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL2955790 0.72 CYP3A4 (0.59) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL642976 0.72 HTR3A (0.54) HTR3AHTTCYP3A4TP53CYP2D6
SCHEMBL11102609 0.72 HTR3A (0.54) HTR3ASMN1; SMN2HRH2HRH1HRH4
SCHEMBL464410 0.72 ALDH1A1 (0.58) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL644231 0.71 HTR3A (0.59) ALDH1A1HTR3AMEN1KMT2ACYP1A2
SCHEMBL2206223 0.71 ALDH1A1 (0.53) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL24338582 0.70 ALDH1A1 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL2752069 0.70 L3MBTL1 (0.51) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL28089680 0.70 NR4A2 (0.66) ALDH1A1MEN1CASP1CASP7KMT2A

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 ALDH1A1 899/4885HTR3A 2291/4885MEN1 1547/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 ALDH1A1 1423/4885HTR3A 28/4885MEN1 3812/4885

“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.