SCHEMBL16595153

SCHEMBL16595153

N[C@H]1CC[C@@H](Nc2nc(Cl)nc3ccoc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.44
SYK P43405 3/20 0.43
PAK4 O96013 3/20 0.43
MAPK8 P45983 2/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
STK16 O75716 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
LTK P29376 1/20 0.43
TTK P33981 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
PTK2 Q05397 1/20 0.43
TYRO3 Q06418 1/20 0.43
TNK2 Q07912 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
SCHEMBL1709800 0.93 IRAK4 (0.49) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL3712626 0.87 IRAK4 (0.44) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL20261989 0.86 IRAK4 (0.55) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL20261991 0.86 IRAK4 (0.55) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL20273951 0.86 KMT2A (0.47) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL19661129 0.79 IRAK4 (0.51) IRAK4
SCHEMBL17937465 0.78 IRAK4 (0.42) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL16595154 0.78 IRAK4 (0.42) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL7607417 0.76 IRAK4 (0.52) IRAK4SYKPAK4MAPK8DAPK3
SCHEMBL3712321 0.75 TLR7 (0.39) IRAK4SYKPAK4MAPK8DAPK3

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 IRAK4 101/4885SYK 5/4885PAK4 775/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 IRAK4 101/4885SYK 5/4885PAK4 775/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 IRAK4 101/4885SYK 5/4885PAK4 775/4885

“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.