SCHEMBL2553675

SCHEMBL2553675

Nc1cc2cccc(Br)c2cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
BACE1 P56817 2/20 0.47
EGFR P00533 8/20 0.43
FGFR1 P11362 1/20 0.37
SLC9A1 P19634 1/20 0.37
PIK3CB P42338 1/20 0.37
NOS1 P29475 2/20 0.36
AXL P30530 1/20 0.36
MAP4K4 O95819 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
SCHEMBL30774265 1.00 PDPK1 (0.53) PDPK1BACE1EGFRFGFR1SLC9A1
SCHEMBL29874279 0.85 PDPK1 (0.53) PDPK1BACE1EGFRFGFR1NOS1
SCHEMBL30871777 0.85 PDPK1 (0.53) PDPK1BACE1EGFRFGFR1NOS1
SCHEMBL559239 0.85 PDPK1 (0.53) PDPK1BACE1EGFRFGFR1NOS1
SCHEMBL28365500 0.80 PDPK1 (0.57) PDPK1EGFRPIK3CBMAP4K4
SCHEMBL1396984 0.77 PDPK1 (0.53) PDPK1EGFRFGFR1PIK3CBNOS1
SCHEMBL31286104 0.77 PDPK1 (0.53) PDPK1EGFRPIK3CBMAP4K4
SCHEMBL21404452 0.77 EGFR (0.39) BACE1EGFRSLC9A1NOS1AXL
SCHEMBL2747921 0.77 IDO1 (0.41) BACE1SLC9A1NOS1AXL
SCHEMBL29242069 0.77 PDPK1 (0.53) PDPK1EGFRPIK3CBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN claimed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN claimed
CN-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN disclosed
US-11993614-B2 Monocyclic and bicyclic ring system substituted carbanucleoside analogues for use as PRMT5 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-05-28 US disclosed
US-20240124493-A1 Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN disclosed
US-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 US disclosed
US-20190263833-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-29 US disclosed
WO-2016206101-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
US-8889676-B2 3-ureidoisoquinolin-8-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-06 US disclosed
EP-2691373-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-02-05 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
WO-2012131588-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-10-04 WO disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 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 (8 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-20190263833-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT8 PDPK1 1111/4885BACE1 2548/4885EGFR 3950/4885
US-20210371433-A1 Novel Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors PRMT5, PRMT1, PRMT8 PDPK1 1270/4885BACE1 2491/4885EGFR 4016/4885
US-11993614-B2 Monocyclic and bicyclic ring system substituted carbanucleoside analogues for use as PRMT5 inhibitors PRMT5, PRMT1, PRMT8 PDPK1 1313/4885BACE1 2093/4885EGFR 3928/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC PDPK1 1047/4885BACE1 3827/4885EGFR 307/4885
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS PDPK1 1004/4885BACE1 1440/4885EGFR 225/4885
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 PDPK1 4023/4885BACE1 4586/4885EGFR 2150/4885
US-20240124493-A1 Monocyclic And Bicyclic Ring System Substituted Carbanucleoside Analogues For Use As PRMT5 Inhibitors PRMT5, PRMT1, PRMT8 PDPK1 1346/4885BACE1 2225/4885EGFR 3931/4885
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES CBR3, CBR1, REL PDPK1 3664/4885BACE1 4761/4885EGFR 1660/4885

“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.