SCHEMBL2434367

SCHEMBL2434367

Cc1cc([N+](=O)[O-])cc(I)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
GPR35 Q9HC97 1/20 0.48
CYP3A4 P08684 2/20 0.47
XDH P47989 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 1/20 0.41
ACHE P22303 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL8528596 0.89 HTT (0.68) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL2105183 0.84 TSHR (0.61) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL12933087 0.82 MEN1 (0.84) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL22187605 0.80 MEN1 (0.57) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL3297288 0.80 XDH (0.57) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL26132612 0.80 KMT2A (0.57) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL22658166 0.77 HTT (0.53) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL29720617 0.77 ALDH1A1 (0.66) HTTMEN1KMT2AALDH1A1TSHR
SCHEMBL5200622 0.77 ALDH1A1 (0.66) HTTMEN1KMT2AALDH1A1TSHR
SCHEMBL30004340 0.76 KMT2A (0.56) HTTMEN1KMT2ALMNAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 HTT 4634/4885MEN1 2485/4885KMT2A 592/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 HTT 4761/4885MEN1 2580/4885KMT2A 643/4885

“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.