SCHEMBL12468720

SCHEMBL12468720

O=C1c2ccccc2C(=O)N1c1ccn(Cc2cccnc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM5 P41594 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL634352 0.79 TYR (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2114944 0.79 MEN1 (0.37) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL2115672 0.76 CACNA1G (0.47) ALDH1A1NR1H2NR1H3
SCHEMBL2116090 0.75 CACNA1G (0.31) ALDH1A1MEN1KMT2AGAA
SCHEMBL756024 0.75 PTGER1 (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL696460 0.74 CYP19A1 (0.45) MEN1KMT2AGAACYP1A2CYP2C19
SCHEMBL15162641 0.74 CACNA1G (0.38) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL15154646 0.73 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL15154644 0.73 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4EPKM
SCHEMBL695750 0.71 GRM5 (0.41) MEN1KMT2AHTTGRM5SMN1; SMN2

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 3067/4885MEN1 3104/4885KMT2A 4208/4885
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 3057/4885MEN1 3429/4885KMT2A 4238/4885
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 2995/4885MEN1 3328/4885KMT2A 4221/4885

“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.