SCHEMBL517317

SCHEMBL517317

COc1cc(N2CCC(N(C)C)CC2)c(C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.39
CCR4 P51679 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
TNIK Q9UKE5 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALK Q9UM73 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL30741321 1.00 EGFR (0.39) EGFRCCR4KCNH2SCN5ATNIK
SCHEMBL22942155 0.92 ALK (0.40) EGFRCCR4KCNH2SUV39H2ALK
SCHEMBL22943290 0.92 ALK (0.40) EGFRCCR4KCNH2SUV39H2ALK
SCHEMBL28087914 0.89 CCR4 (0.40) EGFRCCR4KCNH2SCN5ATNIK
SCHEMBL30626536 0.87 EGFR (0.43) EGFR
SCHEMBL20367139 0.85 ALK (0.38) EGFRCCR4KCNH2SCN5AMEN1
SCHEMBL22951258 0.85 POLB (0.46) EGFRCCR4KCNH2SCN5ATNIK
SCHEMBL20367094 0.85 TNIK (0.43) EGFRCCR4KCNH2SCN5ATNIK
SCHEMBL19174934 0.85 GAA (0.45) EGFRCCR4TNIKSUV39H2HTR3E
SCHEMBL18843617 0.84 ALK (0.43) EGFRKCNH2SCN5AALK

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 EP disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
WO-2022002241-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF 成都地奥九泓制药厂 2022-01-06 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 EP disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 EGFR 40/4885CCR4 3176/4885KCNH2 891/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885CCR4 3858/4885KCNH2 4636/4885
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF ALK, EGFR, ROS1 EGFR 2/4885CCR4 4040/4885KCNH2 2813/4885

“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.