SCHEMBL980356

SCHEMBL980356

Nc1cccc(-c2ccn[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.62
SCN4A P35499 1/20 0.59
CD74 P04233 1/20 0.56
MIF P14174 1/20 0.56
CYP2E1 P05181 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2B6 P20813 1/20 0.52
ENPP2 Q13822 1/20 0.51
JAK2 O60674 1/20 0.51
PDPK1 O15530 2/20 0.48
METAP2 P50579 1/20 0.47
HPGDS O60760 1/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAOA P21397 1/20 0.47
POLB P06746 1/20 0.46
PTPN11 Q06124 1/20 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
SCHEMBL17279815 0.86 NOTUM (0.74) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL27876939 0.78 SCN4A (0.73) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL1786909 0.77 NOTUM (0.62) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL21415566 0.77 NOTUM (0.62) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL6054146 0.77 NOTUM (0.62) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL25272432 0.77 NOTUM (0.69) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL30456423 0.77 NOTUM (0.69) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL23105893 0.76 PDPK1 (0.68) NOTUMSCN4ACD74MIFCYP2E1
SCHEMBL3750894 0.75 POLB (0.63) NOTUMSCN4ACYP2E1CYP2A6CYP2B6
SCHEMBL3200989 0.74

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2023-11-14 US disclosed
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation UNIVERSITY OF SOUTH FLORIDA (US) 2023-11-14 US disclosed
US-20230002381-A1 SMALL MOLECULE INHIBITORS TARGETING CLOSTRIDIOIDES DIFFICILE SPORULATION NATIONAL INSTITUTES OF HEALTH 2023-01-05 US disclosed
CN-111943889-B Bis-aryl amine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-07-22 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
EP-2323993-A2 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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 (10 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885SCN4A 2322/4885CD74 1254/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 3651/4885SCN4A 3295/4885CD74 1977/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885SCN4A 2322/4885CD74 1254/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 NOTUM 828/4885SCN4A 2322/4885CD74 1254/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 NOTUM 1221/4885SCN4A 3964/4885CD74 3389/4885
US-20230002381-A1 SMALL MOLECULE INHIBITORS TARGETING CLOSTRIDIOIDES DIFFICILE SPORULATION SPOUT1, CLPP, RPN2 NOTUM 1384/4885SCN4A 3896/4885CD74 1210/4885
US-11814385-B2 Small molecule inhibitors targeting Clostridioides difficile sporulation SPOUT1, CLPP, RPN2 NOTUM 1384/4885SCN4A 3896/4885CD74 1210/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 NOTUM 828/4885SCN4A 2322/4885CD74 1254/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3654/4885SCN4A 3392/4885CD74 1930/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3654/4885SCN4A 3392/4885CD74 1930/4885

“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.