SCHEMBL781277

SCHEMBL781277

CC(C)(O)C(C)(C)OB(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 15/20 0.47
PLK1 P53350 1/20 0.46
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL819444 0.81 LMNA (0.62) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL29737165 0.81 LMNA (0.62) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL18155085 0.75 CYP2C19 (0.44) HTR6HTR1ADRD2
SCHEMBL1723740 0.72 KDM4E (0.68) LMNASMN1; SMN2HTR6CA2CA9
SCHEMBL29402217 0.72 KDM4E (0.68) LMNASMN1; SMN2HTR6CA2CA9
SCHEMBL4012220 0.72 HTR6 (0.61) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL15757279 0.72 HTR6 (0.59) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL18125259 0.71 HTR6 (0.61) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL17394583 0.71 HTR6 (0.57) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL4014002 0.71 HTR6 (0.60) MEN1KMT2ALMNASMN1; SMN2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-2882746-B1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 US disclosed
EP-2882746-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Merck Patent GmbH (DE) 2015-06-17 EP disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
WO-2014023385-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 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 (8 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-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20150218186-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS SYK, LYN, IRAK1 MEN1 3254/4885KMT2A 1680/4885LMNA 2825/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 MEN1 2314/4885KMT2A 2172/4885LMNA 2893/4885

“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.