SCHEMBL3539853

SCHEMBL3539853

CN(C)CCNCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
PYCR1 P32322 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP19A1 P11511 1/20 0.47
PDCD1 Q15116 1/20 0.47

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
SCHEMBL6733344 0.84 KMT2A (0.56) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL8174468 0.81 CYP2C19 (0.56) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL2488263 0.81 TSHR (0.54) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL3724067 0.80 SIGMAR1 (0.61) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL5716402 0.80 KMT2A (0.58) KMT2AMEN1MAPTCYP2C19CYP1A2
Hydrochloric Acid SCHEMBL7601212 0.80 CYP2C19 (0.55) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL13995480 0.80 KMT2A (0.52) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL6675948 0.79 MEN1 (0.66) KMT2AMEN1MAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL7597139 0.79 TSHR (0.53) KMT2AMEN1MAPTCYP2C19CYP1A2
SCHEMBL18994884 0.79 ALDH1A1 (0.53) KMT2AMEN1MAPTCYP2C19CYP1A2

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-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 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 (1 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 KMT2A 2866/4885MEN1 3489/4885MAPT 2888/4885

“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.