SCHEMBL16459750

SCHEMBL16459750

C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GPR119 Q8TDV5 5/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.44
STS P08842 1/20 0.43
RORC P51449 2/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
USP30 Q70CQ3 2/20 0.41
KDM1A O60341 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL28342102 1.00 KDM4E (0.48) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL15507141 1.00 KDM4E (0.48) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL4164966 1.00 KDM4E (0.48) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL4164968 1.00 KDM4E (0.48) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL25465736 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL30661567 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL19813102 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL17966350 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL17966352 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL17966353 0.88 KDM4E (0.47) KDM4EPKMGPR119NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612302-B Pyrazolo [1,5-a ] pyrimidine derivatives as kinase JAK inhibitors 赛隆制药股份公司 2022-06-14 CN disclosed
CN-110612302-A Pyrazolo [1,5-a ] pyrimidine derivatives as kinase JAK inhibitors 赛隆制药股份公司 2019-12-24 CN disclosed
EP-2892899-B1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
EP-2892899-B1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
US-9428511-B2 Imidazopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20150210703-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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 (2 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-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 KDM4E 1141/4885PKM 957/4885GPR119 3922/4885
US-20150210703-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 KDM4E 1157/4885PKM 1536/4885GPR119 2473/4885

“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.