SCHEMBL13939271

SCHEMBL13939271

Cc1noc(C)c1Cn1ccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TAS2R8 Q9NYW2 14/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL1615298 0.79 TAS2R8 (0.55) TAS2R8CA12CA1CA2CA9
SCHEMBL15871692 0.78 TAS2R8 (0.44) ALDH1A1TAS2R8CA12CA1CA2
SCHEMBL1615825 0.74 TAS2R8 (0.48) ALDH1A1TAS2R8TSHRLMNA
SCHEMBL21236794 0.74 MBOAT4 (0.62) —
SCHEMBL15164068 0.73 TAS2R8 (0.40) TAS2R8CA12CA1CA2CA9
SCHEMBL15164076 0.72 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL1279383 0.72 TAS2R8 (0.65) TAS2R8
SCHEMBL1615590 0.72 TAS2R8 (0.47) TAS2R8LMNA
SCHEMBL22463063 0.71 TAS2R8 (0.52) ALDH1A1TAS2R8KMT2ALMNA
Hydrochloric Acid SCHEMBL1278372 0.71 TAS2R8 (0.63) TAS2R8

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-9334265-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2016-05-10 — — US disclosed
US-9334265-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2016-05-10 — — US disclosed
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2015-10-29 — — US disclosed
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2015-10-29 — — US disclosed
US-9000181-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2015-04-07 — — US disclosed
US-9000181-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2015-04-07 — — US disclosed
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2014-09-25 — — US disclosed
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2014-09-25 — — US disclosed
US-8779153-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2014-07-15 — — US disclosed
US-8779153-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2014-07-15 — — US disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 — — US disclosed
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 — — US disclosed
WO-2009025793-A2 HUMAN T2R BITTERNESS RECEPTORS AND USES THEREOF SENOMYX, INC. (US) 2009-02-26 — — 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 (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-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 3067/4885TDP1 4384/4885TAS2R8 4582/4885
US-20140288133-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 3057/4885TDP1 4435/4885TAS2R8 4585/4885
US-20150307485-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 ALDH1A1 2995/4885TDP1 4421/4885TAS2R8 4611/4885

“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.

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