SCHEMBL14923993

SCHEMBL14923993

CC(C)c1ccc(C(=O)N2CCC(N(C)C)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.66
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 5/20 0.51
PDK2 Q15119 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.48
MGLL Q99685 2/20 0.47
FAAH O00519 1/20 0.46
JAK2 O60674 1/20 0.46
CDK1 P06493 2/20 0.46
CDK2 P24941 2/20 0.46

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
SCHEMBL19226702 1.00 L3MBTL3 (0.66) L3MBTL3KMT2AALDH1A1MEN1LMNA
SCHEMBL19226391 0.92 L3MBTL3 (0.79) L3MBTL3KMT2AALDH1A1MEN1LMNA
SCHEMBL24185218 0.86 L3MBTL3 (0.69) L3MBTL3L3MBTL1HRH3PDK2MGLL
SCHEMBL22165523 0.86 L3MBTL3 (0.69) L3MBTL3L3MBTL1HRH3PDK2MGLL
SCHEMBL2887251 0.86 L3MBTL3 (0.69) L3MBTL3L3MBTL1HRH3PDK2MGLL
SCHEMBL12237840 0.84 L3MBTL3 (0.71) L3MBTL3KMT2AALDH1A1MEN1LMNA
SCHEMBL24185230 0.84 L3MBTL3 (0.71) L3MBTL3KMT2AL3MBTL1HRH3PDK2
SCHEMBL10195734 0.84 L3MBTL3 (0.71) L3MBTL3KMT2AALDH1A1MEN1LMNA
SCHEMBL2887400 0.84 L3MBTL3 (0.71) L3MBTL3KMT2AL3MBTL1HRH3PDK2
SCHEMBL24185235 0.84 L3MBTL3 (0.71) L3MBTL3KMT2AL3MBTL1HRH3PDK2

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-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
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-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 (4 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN L3MBTL3 3429/4885KMT2A 1857/4885ALDH1A1 3955/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885KMT2A 1823/4885ALDH1A1 3912/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 L3MBTL3 4841/4885KMT2A 1797/4885ALDH1A1 1339/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885KMT2A 1823/4885ALDH1A1 3912/4885

“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.