SCHEMBL13472437

SCHEMBL13472437

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 18/20 0.41
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ TET3 O43151 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ BBOX1 O75936 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.34
▸ TET2 Q6N021 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL13472438 0.87 KMO (0.39) KMO
SCHEMBL13472441 0.84 KMO (0.37) KMO
SCHEMBL14770746 0.82 KMO (0.38) KMO
SCHEMBL13472440 0.74 KMO (0.52) KMOALDH1A1KDM4EKDM5AKDM5B
SCHEMBL27227689 0.74 KMO (0.46) KMOALDH1A1KDM4EKDM6BTET3
SCHEMBL19243965 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL71141 0.72 KMO (0.59) KMOALDH1A1KDM4EKDM6BTET3
Hydrochloric Acid SCHEMBL3272369 0.70 KMO (0.57) KMOALDH1A1KDM4EKDM6BTET3
Hydrochloric Acid SCHEMBL3272233 0.70 KMO (0.57) KMOALDH1A1KDM4EKDM6BTET3
Fluoride SCHEMBL21173953 0.70 KMO (0.57) KMOALDH1A1KDM4EKDM6BTET3

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
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
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
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-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-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-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-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
WO-2009006389-A2 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 — — 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 (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 KMO 3678/4885ALDH1A1 2691/4885KDM4E 2377/4885
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF KMO 3678/4885ALDH1A1 2691/4885KDM4E 2377/4885
US-20130065858-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMO 3678/4885ALDH1A1 2691/4885KDM4E 2377/4885
US-20150080568-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KMO 3678/4885ALDH1A1 2691/4885KDM4E 2377/4885

“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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