SCHEMBL2059010

SCHEMBL2059010

C[C@@H](NC(=O)OC(C)(C)C)c1cc(C(=O)Nc2cnc(C(C)(C)C)nc2N)no1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SCD O00767 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB1 P08183 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL2059008 1.00 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL18784253 0.88 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL12590877 0.84 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AHPGDNPC1MAPT
Hydrochloric Acid SCHEMBL2058449 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AHPGDNPC1MAPT
Hydrochloric Acid SCHEMBL2058446 0.83 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL3638938 0.79 HDAC6 (0.47) SMN1; SMN2RAB9AHPGDNPC1MEN1
SCHEMBL12590978 0.78 FLT3 (0.37) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL10235545 0.78 HDAC1 (0.46) SMN1; SMN2RAB9ANPC1TP53HTT
SCHEMBL3638932 0.75 PDE10A (0.33) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL13199813 0.75 KMT2A (0.44) SMN1; SMN2HPGDMAPTMEN1KMT2A

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 29 patents — showing the first 20. 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
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-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 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
US-20090036419-A1 COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 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 (3 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 SMN1; SMN2 4338/4885RAB9A 1035/4885HPGD 2709/4885
US-20170158686-A1 Compounds Useful as Raf Kinase Inhibitors BRAF, RAF1, ARAF SMN1; SMN2 4338/4885RAB9A 1035/4885HPGD 2709/4885
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF SMN1; SMN2 4436/4885RAB9A 1015/4885HPGD 1772/4885

“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.