SCHEMBL16071863

SCHEMBL16071863

CCOC(=O)[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BTK Q06187 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM1A O60341 2/20 0.32
▸ CTSL P07711 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ EPHX1 P07099 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
SCHEMBL13618996 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL29385715 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL13618932 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL13618931 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL19009054 1.00 KMT2A (0.42) KMT2AALDH1A1MEN1TSHRBTK
Cadaverine Tartrate SCHEMBL28688239 0.93 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRBTK
SCHEMBL19783843 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13618972 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL13748220 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A
SCHEMBL16668084 0.85 BTK (0.51) KMT2ABTKMAOBMAOAKDM1A

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
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 — — US disclosed
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-06-22 — — US disclosed
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-06-22 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-9434700-B2 Inhibitors of the fibroblast growth factor receptor BLUEPRINT MEDICINES CORPORATION 2016-09-06 — — US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20150119405-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION (US) 2015-04-30 — — US disclosed
WO-2015061572-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION (US) 2015-04-30 — — WO disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — US disclosed
WO-2014144737-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-18 — — 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 (6 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-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885ALDH1A1 684/4885MEN1 606/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC KMT2A 2523/4885ALDH1A1 3719/4885MEN1 3268/4885
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 KMT2A 3129/4885ALDH1A1 1963/4885MEN1 3692/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885ALDH1A1 684/4885MEN1 606/4885
US-20150119405-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 KMT2A 3129/4885ALDH1A1 1963/4885MEN1 3692/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC KMT2A 2523/4885ALDH1A1 3719/4885MEN1 3268/4885

“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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