SCHEMBL13472433

SCHEMBL13472433

O=C(O)c1cc(C#CCCOC2CCCCO2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KMO O15229 7/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CREBBP Q92793 2/20 0.33
▸ GCK P35557 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ EP300 Q09472 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30

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
SCHEMBL13472439 0.87 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13472438 0.71 KMO (0.39) KMO
SCHEMBL21738201 0.71 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1808138 0.70 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13472441 0.69 KMO (0.37) KMO
SCHEMBL2644185 0.69 KMT2A (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13322302 0.69 MEN1 (0.51) MEN1KMT2AKDM4CL3MBTL1CREBBP
SCHEMBL3511939 0.69 KDM4C (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18873291 0.69 MEN1 (0.69) MEN1KMT2AKDM4CCREBBPGCK
SCHEMBL29877431 0.69 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3231798-B1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
US-9920048-B2 Substituted pyrimidines for inhibiting Raf kinase activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 — — US disclosed
EP-3231798-A1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2017-10-18 — — EP disclosed
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-08 — — US disclosed
EP-2167489-B1 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2017-05-03 — — EP disclosed
US-9556177-B2 Substituted 1,3-thiazoles as synthetic intermediates for preparation of Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 — — US disclosed
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS XOMA (US) LLC 2015-03-19 — — US disclosed
US-8802657-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-12 — — US disclosed
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US disclosed
US-8293752-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-23 — — US disclosed
US-8293752-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-23 — — US disclosed
US-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-02-05 — — US disclosed
US-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-02-05 — — 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-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 2221/4885KMT2A 1963/4885KMO 3678/4885
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF MEN1 2221/4885KMT2A 1963/4885KMO 3678/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 2221/4885KMT2A 1963/4885KMO 3678/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MEN1 2221/4885KMT2A 1963/4885KMO 3678/4885

“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.

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