SCHEMBL14924420

SCHEMBL14924420

CNC1CCN(C(=O)c2ccc(C)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.63
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
PDK2 Q15119 1/20 0.52
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
CCNK O75909 2/20 0.50
CDK12 Q9NYV4 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
PAK1 Q13153 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL22542170 0.91 KMT2A (0.65) KDM1AKMT2AMEN1EPHX2ALDH1A1
SCHEMBL22184356 0.88 PDK2 (0.52) KDM1AKMT2AMEN1ALDH1A1PDK2
SCHEMBL14392680 0.88 PDK2 (0.52) KDM1AKMT2AMEN1ALDH1A1PDK2
SCHEMBL19226422 0.87 PKM (0.56) KDM1AKMT2AMEN1EPHX2ALDH1A1
SCHEMBL24477822 0.87 KMT2A (0.56) KDM1AKMT2AMEN1EPHX2ALDH1A1
SCHEMBL22859014 0.87 POLB (0.54) KDM1AKMT2AEPHX2PDK2HSD11B1
SCHEMBL1448240 0.87 PDK2 (0.51) KDM1AKMT2AMEN1EPHX2PDK2
SCHEMBL7881494 0.86 EPHX1 (0.63) KDM1AKMT2AMEN1EPHX2ALDH1A1
SCHEMBL2132882 0.86 EPHX1 (0.63) KDM1AKMT2AMEN1EPHX2ALDH1A1
SCHEMBL2132888 0.86 EPHX1 (0.63) KDM1AKMT2AMEN1EPHX2ALDH1A1

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
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US 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 (5 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM1A 1215/4885KMT2A 1797/4885MEN1 2118/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN KDM1A 2086/4885KMT2A 1857/4885MEN1 4259/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KDM1A 2020/4885KMT2A 1823/4885MEN1 3929/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM1A 1215/4885KMT2A 1797/4885MEN1 2118/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KDM1A 2020/4885KMT2A 1823/4885MEN1 3929/4885

“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.