SCHEMBL2377708

SCHEMBL2377708

CN1CCN(C(=O)c2ccc(Br)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HRH4 Q9H3N8 4/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNKS O95271 3/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM4A O75164 1/20 0.44

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
SCHEMBL29706010 0.87 L3MBTL3 (0.58) HRH3L3MBTL1
SCHEMBL20788470 0.86 ALDH1A1 (0.56) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL642288 0.85 ALDH1A1 (0.55) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL1427022 0.85 ALDH1A1 (0.57) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL1872354 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1RAB9AHRH3
SCHEMBL27921375 0.84 MAPK1 (0.52) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL2378438 0.84 CYP1A2 (0.50) POLBALDH1A1KDM4EHRH4HRH3
SCHEMBL2977116 0.84 HRH3 (0.60) ALDH1A1KDM4EHRH3TDP1SMN1; SMN2
SCHEMBL3396742 0.83 ALDH1A1 (0.49) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL3396746 0.83 ALDH1A1 (0.49) POLBALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024253416-A1 PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2024-12-12 WO disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 WO disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2046782-A2 IMIDAZOLYLPYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) Astra Zeneca AB (SE) 2009-04-15 EP disclosed
US-20080199926-A1 Methods and Organisms for Growth-Coupled Production of 3-Hydroxypropionic Acid GENOMATICA, INC. 2008-08-21 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
CN-101163694-A Imidaz0l0-5-yl-2-anil0-pyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB ASTRAZENECA UK (SE) 2008-04-16 CN disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 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 (2 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 POLB 1388/4885ALDH1A1 4878/4885LMNA 2486/4885
US-20080188502-A1 New Compounds I SLC10A1, REN, SLC5A1 POLB 3751/4885ALDH1A1 363/4885LMNA 1942/4885

“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.