SCHEMBL16633219

SCHEMBL16633219

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](COCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
RORC P51449 1/20 0.40
KMT2A Q03164 2/20 0.40
TACR1 P25103 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL19829019 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL16633218 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL16634147 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL16633621 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL16643746 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL29874101 1.00 JAK2 (0.41) JAK2JAK1STSGPR119NAMPT
SCHEMBL20626607 0.90 JAK2 (0.48) JAK2JAK1STSGPR119SMN1; SMN2
SCHEMBL16643747 0.90 JAK2 (0.48) JAK2JAK1STSGPR119SMN1; SMN2
SCHEMBL13132221 0.90 NR1H2 (0.42) JAK2JAK1STSGPR119NAMPT
SCHEMBL17013191 0.90 NR1H2 (0.42) JAK2JAK1STSGPR119NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 JAK2 243/4885JAK1 1545/4885STS 4043/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 JAK2 243/4885JAK1 1545/4885STS 4043/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 JAK2 274/4885JAK1 1589/4885STS 3781/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 JAK2 243/4885JAK1 1545/4885STS 4043/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 JAK2 243/4885JAK1 1545/4885STS 4043/4885

“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.