SCHEMBL12468516

SCHEMBL12468516

Cc1ccnc(CO)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS2 P35228 5/20 0.39
NOS3 P29474 4/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DYRK1A Q13627 1/20 0.33
ABL1 P00519 2/20 0.33
F2 P00734 4/20 0.32
KLKB1 P03952 1/20 0.32
PRSS1 P07477 1/20 0.32
RECQL P46063 1/20 0.31
SSTR4 P31391 1/20 0.31
NOS1 P29475 1/20 0.30

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
SCHEMBL18988614 0.84 NOS2 (0.38) ALDH1A1L3MBTL1NOS2NOS3CCR1
SCHEMBL11967119 0.81 NOS2 (0.48) NOS2NOS3PDE3BPDE3ACCR1
SCHEMBL15154665 0.79 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL5651427 0.79 NOS2 (0.43) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2083503 0.78 NOS2 (0.46) ALDH1A1L3MBTL1NOS2NOS3PDE3B
SCHEMBL12468647 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1PDE3BPDE3AKDM4E
Hydrochloric Acid SCHEMBL6950823 0.78 NOS2 (0.42) NOS2NOS3CCR1CCR5CCR8
SCHEMBL19006356 0.78 NOS2 (0.52) NOS2NOS3PDE3BPDE3ACCR1
Hydrochloric Acid SCHEMBL16880907 0.78 NOS2 (0.42) NOS2NOS3CCR1CCR5CCR8
SCHEMBL23857046 0.77 NOS2 (0.44) ALDH1A1L3MBTL1NOS2NOS3PDE3B

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 22 patents — showing the first 20. 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-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-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-9000181-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2015-04-07 US disclosed
EP-2627653-B1 3-AMINO-PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LTD (GB) 2014-12-24 EP 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-8779153-B2 3-amino-pyrazole derivatives useful against tuberculosis GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2627653-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS Glaxo Group Limited (GB) 2013-08-21 EP 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
US-20130203802-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
WO-2012049161-A1 3 -AMINO- PYRAZOLE DERIVATIVES USEFUL AGAINST TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2012-04-19 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 3067/4885L3MBTL1 1549/4885NOS2 2365/4885
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 3057/4885L3MBTL1 1789/4885NOS2 2300/4885
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 2995/4885L3MBTL1 1523/4885NOS2 2351/4885

“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.