SCHEMBL17304232

SCHEMBL17304232

Cc1cc([N+](=O)[O-])c(F)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
GRM1 Q13255 8/20 0.45
GRM5 P41594 7/20 0.45
HTR6 P50406 1/20 0.42
JAK1 P23458 1/20 0.42
CNR1 P21554 1/20 0.41
CDK9 P50750 3/20 0.41
NAMPT P43490 1/20 0.41
CCNT1 O60563 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40

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
SCHEMBL29651891 1.00 PDK4 (0.48) PDK4GRM1GRM5HTR6JAK1
SCHEMBL31639892 0.92 PDK4 (0.49) PDK4GRM1GRM5HTR6JAK1
SCHEMBL3817588 0.90 PDK4 (0.49) PDK4GRM1GRM5HTR6JAK1
SCHEMBL18843609 0.87 PDK4 (0.47) PDK4GRM1GRM5HTR6JAK1
SCHEMBL29661274 0.87 PDK4 (0.47) PDK4GRM1GRM5HTR6JAK1
SCHEMBL30180163 0.86 PDK4 (0.45) PDK4GRM1GRM5HTR6JAK1
SCHEMBL21169785 0.85 PDK4 (0.46) PDK4GRM1GRM5HTR6JAK1
SCHEMBL28352523 0.85 ADAM10 (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1545479 0.84 PDK4 (0.47) PDK4GRM1GRM5HTR6JAK1
SCHEMBL29651909 0.84 PDK4 (0.47) PDK4GRM1GRM5HTR6JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011376-B1 COMBINATION OF AN ALK INHIBITOR AND AN EGFR INHIBITOR FOR TREATING CANCER ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2025-04-30 EP disclosed
EP-4446320-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Oncobix Co., Ltd. (KR) 2024-10-16 EP disclosed
CN-115043821-B Aminopyrimidines as ALK inhibitors 密歇根大学董事会 2024-08-06 CN disclosed
CN-118355012-A Novel heterocyclic substituted pyrimidine derivative exhibiting cancer cell growth inhibitory effect and pharmaceutical composition containing the same 昂科比克斯有限公司 2024-07-16 CN disclosed
WO-2023106881-A1 NOVEL HETEROCYCLIC-SUBSTITUTED PYRIMIDINE DERIVATIVE EXHIBITING CANCER CELL GROWTH INHIBITORY EFFECT, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 온코빅스 2023-06-15 WO disclosed
US-11478477-B2 Method for treating cancer by combination of FAK/ALK/ROS1 inhibitor and EGFR inhibitor ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-10-25 US disclosed
EP-4011376-A2 COMBINATION OF AN ALK INHIBITOR AND AN EGFR INHIBITOR FOR TREATING CANCER Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-06-15 EP disclosed
EP-4001273-A2 AMINOPYRIMIDINES AS ALK INHIBITORS The Regents Of The University Of Michigan (US) 2022-05-25 EP disclosed
EP-4001273-A2 AMINOPYRIMIDINES AS ALK INHIBITORS The Regents Of The University Of Michigan (US) 2022-05-25 EP disclosed
US-20210330669-A1 METHOD FOR TREATING CANCER BY COMBINATION OF FAK/ALK/ROSI INHIBITOR AND EGFR INHIBITOR ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-10-28 US disclosed
US-10709705-B2 Aminopyrimidines as ALK inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-14 US disclosed
EP-3504203-A2 AMINOPYRIMIDINES AS ALK INHIBITORS The Regents of The University of Michigan (US) 2019-07-03 EP disclosed
US-20190175595-A1 AMINOPYRIMIDINES AS ALK INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-06-13 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
WO-2018044767-A2 AMINOPYRIMIDINES AS ALK INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-08 WO disclosed
WO-2018044767-A2 AMINOPYRIMIDINES AS ALK INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-08 WO disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 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 (6 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 PDK4 1223/4885GRM1 2849/4885GRM5 3511/4885
US-20210330669-A1 METHOD FOR TREATING CANCER BY COMBINATION OF FAK/ALK/ROSI INHIBITOR AND EGFR INHIBITOR ROS1, ALK, PTK2 PDK4 3165/4885GRM1 1524/4885GRM5 2679/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 PDK4 1223/4885GRM1 2849/4885GRM5 3511/4885
US-11478477-B2 Method for treating cancer by combination of FAK/ALK/ROS1 inhibitor and EGFR inhibitor ROS1, ALK, PTK2 PDK4 3066/4885GRM1 1355/4885GRM5 2640/4885
US-20190175595-A1 AMINOPYRIMIDINES AS ALK INHIBITORS ALK, RET, BRAF PDK4 1141/4885GRM1 2358/4885GRM5 3049/4885
US-10709705-B2 Aminopyrimidines as ALK inhibitors ALK, RET, BRAF PDK4 1141/4885GRM1 2358/4885GRM5 3049/4885

“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.