SCHEMBL4666715

SCHEMBL4666715

N#C[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.33
JAK2 O60674 4/20 0.33
JAK3 P52333 3/20 0.33
TYK2 P29597 2/20 0.33
VNN1 O95497 3/20 0.32
BTD P43251 2/20 0.32
TBK1 Q9UHD2 1/20 0.31
LRRK2 Q5S007 1/20 0.31
F2R P25116 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL16416429 1.00 JAK1 (0.33) JAK1JAK2JAK3TYK2VNN1
SCHEMBL5127466 1.00 JAK1 (0.33) JAK1JAK2JAK3TYK2VNN1
SCHEMBL932224 0.91 KDM4E (0.35) JAK2F2RKDM4EALDH1A1
SCHEMBL28168621 0.88 VNN1 (0.40) VNN1BTDALDH1A1
SCHEMBL27510701 0.85 F2R (0.36) JAK1JAK2JAK3TYK2VNN1
SCHEMBL30441232 0.84 VNN1 (0.35) VNN1BTD
SCHEMBL27948 0.82
SCHEMBL16887553 0.82 DPP4 (0.38) JAK1JAK2JAK3KDM4E
SCHEMBL15796013 0.82 JAK1 (0.32) JAK1JAK2JAK3TYK2VNN1
SCHEMBL27626212 0.82 GAA (0.33) JAK1JAK2JAK3TYK2VNN1

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-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP claimed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US claimed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO claimed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO claimed
US-20240279338-A1 Combination Treatment of Cancer ARES TRADING SA (CH) 2024-08-22 US disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
CN-1882576-A Quinazoline derivatives ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 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 (7 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 JAK1 1443/4885JAK2 812/4885JAK3 1813/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 JAK1 293/4885JAK2 385/4885JAK3 668/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 JAK1 696/4885JAK2 926/4885JAK3 1213/4885
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 JAK1 410/4885JAK2 342/4885JAK3 1099/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 JAK1 293/4885JAK2 385/4885JAK3 668/4885
US-20240279338-A1 Combination Treatment of Cancer CD274, PDCD1, ENTPD1 JAK1 907/4885JAK2 982/4885JAK3 1518/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 JAK1 410/4885JAK2 342/4885JAK3 1099/4885

“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.