SCHEMBL16595168

SCHEMBL16595168

Clc1nc(NCC2CNC2)c2occc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
APP P05067 2/20 0.33
PDE5A O76074 1/20 0.33
SYK P43405 8/20 0.33
JAK2 O60674 3/20 0.33
ABL1 P00519 3/20 0.33
LCK P06239 3/20 0.33
FYN P06241 3/20 0.33
RET P07949 3/20 0.33
MAPK8 P45983 3/20 0.33
TNK2 Q07912 3/20 0.33
MAP4K2 Q12851 3/20 0.33
TTK P33981 2/20 0.33
NTRK2 Q16620 2/20 0.33
INSR P06213 1/20 0.33
MST1 P26927 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL3712321 0.88 TLR7 (0.39) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL20942758 0.78 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL3708672 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL16595169 0.75 JAK3 (0.38) KCNH2
SCHEMBL1709800 0.75 IRAK4 (0.49) SYKJAK2ABL1LCKFYN
SCHEMBL16595513 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPAK4
SCHEMBL3701517 0.73 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL3712626 0.72 IRAK4 (0.44) PDE4APDE5ASYKJAK2ABL1
SCHEMBL3711032 0.72 ESR1 (0.45) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL1709838 0.72 SYK (0.37) PDE4APDE4BPDE4CPDE4DAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 US disclosed
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
EP-3048105-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-07-27 EP disclosed
EP-3048105-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-07-27 EP disclosed
WO-2015039612-A1 COMPOUND INHIBITING KINASE ACTIVITIES OF BTK AND/OR JAK3 北京韩美药品有限公司 2015-03-26 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 (3 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-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 PDE4A 1132/4885PDE4B 1431/4885PDE4C 985/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 PDE4A 1132/4885PDE4B 1431/4885PDE4C 985/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 PDE4A 1132/4885PDE4B 1431/4885PDE4C 985/4885

“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.