SCHEMBL10195702

SCHEMBL10195702

Cc1ccc(C(=O)N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.87
L3MBTL1 Q9Y468 1/20 0.69
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
HPGD P15428 2/20 0.61
ALDH1A1 P00352 2/20 0.57
MGLL Q99685 2/20 0.57
HSD11B1 P28845 1/20 0.57
PKM P14618 1/20 0.57
HDAC4 P56524 1/20 0.55
LMNA P02545 1/20 0.55
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
PDK2 Q15119 1/20 0.49

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
SCHEMBL12237837 0.91 L3MBTL3 (0.71) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL10195734 0.91 L3MBTL3 (0.71) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL12237840 0.91 L3MBTL3 (0.71) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL25498559 0.87 L3MBTL3 (0.87) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL17271879 0.86 L3MBTL3 (0.84) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL26773746 0.86 L3MBTL3 (0.84) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL3399465 0.86 L3MBTL3 (0.84) L3MBTL3L3MBTL1KMT2AMEN1MGLL
SCHEMBL8917126 0.85 L3MBTL3 (0.84) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL15317683 0.83 L3MBTL3 (0.79) L3MBTL3L3MBTL1KMT2AMEN1HPGD
SCHEMBL19226391 0.83 L3MBTL3 (0.79) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 US disclosed
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents FERRAND SANDRINE 2010-02-18 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 (6 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 L3MBTL3 4841/4885L3MBTL1 4850/4885KMT2A 1797/4885
US-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 L3MBTL3 2370/4885L3MBTL1 1278/4885KMT2A 3158/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 L3MBTL3 4646/4885L3MBTL1 4715/4885KMT2A 585/4885
US-20100041662-A1 Heterocyclic compounds as antiinflammatory agents JAK2, IRAK4, ALK L3MBTL3 2577/4885L3MBTL1 2901/4885KMT2A 2278/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 L3MBTL3 4646/4885L3MBTL1 4715/4885KMT2A 585/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 L3MBTL3 4841/4885L3MBTL1 4850/4885KMT2A 1797/4885

“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.