SCHEMBL21114942

SCHEMBL21114942

CC(C)(C)OC(=O)N1CCC(OS(=O)(=O)Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.60
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
GPR119 Q8TDV5 4/20 0.49
USP30 Q70CQ3 4/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPRB P23467 1/20 0.43
PTPN11 Q06124 1/20 0.43
HPGDS O60760 1/20 0.43
TGFBR1 P36897 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
SCHEMBL29637455 1.00 STS (0.60) STSJAK2JAK1GPR119USP30
SCHEMBL29676710 1.00 STS (0.60) STSJAK2JAK1GPR119USP30
SCHEMBL28720984 0.93 STS (0.65) STSJAK2JAK1GPR119KDM4E
SCHEMBL3413600 0.91 STS (0.56) STSJAK2JAK1GPR119USP30
SCHEMBL3789110 0.84 SMN1; SMN2 (0.56) JAK2JAK1GAASMN1; SMN2
SCHEMBL29426286 0.82 STS (0.58) STSJAK2JAK1GPR119USP30
SCHEMBL30758095 0.82 STS (0.58) STSJAK2JAK1GPR119USP30
SCHEMBL20503925 0.81 JAK2 (0.55) STSJAK2JAK1GPR119USP30
SCHEMBL942191 0.81 JAK2 (0.55) STSJAK2JAK1GPR119USP30
SCHEMBL697850 0.81 JAK2 (0.55) STSJAK2JAK1GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-02-07 US disclosed
EP-3517535-B1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2022-06-29 EP disclosed
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-10-28 US disclosed
US-11059805-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-13 US disclosed
US-20200339541-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-10-29 US disclosed
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2020-07-14 US disclosed
EP-3517535-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-31 EP disclosed
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-11 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 (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-20200339541-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885
US-20190210997-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885
US-11572353-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885
US-10710981-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885
US-20210332027-A1 ALKYNYL-SUBSTITUTED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885
US-11059805-B2 Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use thereof FGFR1, FGFR4, FGFR3 STS 315/4885JAK2 12/4885JAK1 10/4885

“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.