SCHEMBL19222007

SCHEMBL19222007

COc1cc(N2CCC(N(C)C)CC2)c(N)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.48
FYN P06241 2/20 0.48
SRC P12931 2/20 0.48
ABL1 P00519 2/20 0.48
AAK1 Q2M2I8 2/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
EGFR P00533 11/20 0.40
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
FRK P42685 1/20 0.39
BLK P51451 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19221922 0.84 ABL1 (0.46) SRCABL1AAK1KDM4EALDH1A1
SCHEMBL29823053 0.84 ABL1 (0.46) SRCABL1AAK1KDM4EALDH1A1
SCHEMBL19222008 0.84 ABL1 (0.42) PTK6FYNSRCABL1EGFR
SCHEMBL20689783 0.84 GAA (0.48) KDM4EALDH1A1MAPTRAB9A
SCHEMBL19222009 0.83 EGFR (0.58) EGFR
SCHEMBL25139995 0.82 FYN (0.41) PTK6FYNSRCABL1AAK1
SCHEMBL21600789 0.81 FYN (0.41) PTK6FYNSRCABL1AAK1
SCHEMBL21600745 0.81 FYN (0.41) PTK6FYNSRCABL1AAK1
SCHEMBL21596984 0.80 FYN (0.43) PTK6FYNSRCABL1AAK1
SCHEMBL24891451 0.80 ABL1 (0.39) PTK6FYNSRCABL1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202767-B1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-04-03 EP disclosed
EP-3327014-A1 EGFR INHIBITOR AND PHARMACEUTICALLY ACCEPTABLE SALT AND POLYMORPH THEREOF, AND USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2018-05-30 EP disclosed
US-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-10-19 US disclosed
US-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-10-19 US disclosed
EP-3202767-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-08-09 EP 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 (1 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-20170296537-A1 AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEROF AND MEDICAL USE THEREOF EGFR, ERBB2, ERBB4 PTK6 155/4885FYN 499/4885SRC 110/4885

“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.