SCHEMBL644758

SCHEMBL644758

Cc1[nH]cnc1C(=O)c1ccc2cccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK14 Q16539 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CHRNA7 P36544 2/20 0.41
HTT P42858 3/20 0.41
ALOX15 P16050 1/20 0.41
PLK1 P53350 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR4A2 P43354 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL10014901 0.75 ALDH1A1 (0.44) ALDH1A1MAPK14DOT1LMEN1KMT2A
SCHEMBL7101680 0.74 KMT2A (0.51) ALDH1A1DOT1LMEN1KMT2ACASP1
SCHEMBL10014904 0.74 ALDH1A1 (0.43) ALDH1A1EGLN1HTTALOX15RAB9A
SCHEMBL9360254 0.74 MEN1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL29977567 0.74 MEN1 (0.55) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL1145034 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL29406417 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL2232014 0.70 ALDH1A1 (0.55) ALDH1A1DOT1LMEN1KMT2ACASP1
SCHEMBL2524478 0.70 ALDH1A1 (0.55) ALDH1A1DOT1LMEN1KMT2ACASP1
SCHEMBL4517996 0.70 ALDH1A1 (0.55) ALDH1A1DOT1LMEN1KMT2ACASP1

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 13 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 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
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 899/4885MAPK14 4051/4885DOT1L 1668/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 ALDH1A1 1423/4885MAPK14 3082/4885DOT1L 3908/4885

“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.