SCHEMBL3225068

SCHEMBL3225068

CCc1nnc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)OC)s1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.70
ALDH1A1 P00352 6/20 0.52
GAA P10253 3/20 0.52
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 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
SCHEMBL3225075 0.82 RAF1 (1.00) RAF1MAPK14
SCHEMBL3224242 0.74 MAPK14 (0.66) RAF1ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL3220668 0.73 MAPK14 (0.67) RAF1ALDH1A1MAPTMAPK14
SCHEMBL10308256 0.72 RAF1 (0.65) RAF1ALDH1A1GAARAB9ANPC1
SCHEMBL15298838 0.71 RAF1 (0.74) RAF1ALDH1A1GAARAB9ANPC1
SCHEMBL3234671 0.70 RAF1 (0.69) RAF1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3234930 0.70 MAPK14 (0.51) RAF1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3243782 0.70 RAB9A (0.58) RAF1ALDH1A1GAARAB9ANPC1
SCHEMBL3241483 0.69 MAPK14 (0.72) RAF1MEN1KMT2AMAPK14
SCHEMBL3245765 0.69 MAPK14 (0.52) RAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296811-B2 Methods for treating a tumor using an antibody that specifically binds HMW-MAA University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-03-29 US disclosed
US-9296811-B2 Methods for treating a tumor using an antibody that specifically binds HMW-MAA University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-03-29 US disclosed
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-8771687-B2 Methods for treating a tumor using an antibody that specifically binds GRP94 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-07-08 US disclosed
US-8771687-B2 Methods for treating a tumor using an antibody that specifically binds GRP94 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-07-08 US disclosed
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-10-03 US disclosed
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-10-03 US disclosed
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20120148598-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-06-14 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
US-20050256174-A1 Raf kinase inhibitors BAYER HEALTHCARE LLC 2005-11-17 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (7 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-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF RAF1 2/4885ALDH1A1 2732/4885GAA 2980/4885
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA PA2G4, BRAF, HSPA1A RAF1 107/4885ALDH1A1 1917/4885GAA 3950/4885
US-20120148598-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 LY96, HSPA2, BRAF RAF1 77/4885ALDH1A1 2301/4885GAA 2600/4885
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 LY96, HSPA2, BRAF RAF1 77/4885ALDH1A1 2301/4885GAA 2600/4885
US-20050256174-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885ALDH1A1 2732/4885GAA 2980/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885ALDH1A1 2732/4885GAA 2980/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885ALDH1A1 2732/4885GAA 2980/4885

“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.