SCHEMBL20540263

SCHEMBL20540263

O=Cc1cn2ccc(Br)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
METTL3 Q86U44 2/20 0.37
AHR P35869 2/20 0.35
HDAC1 Q13547 2/20 0.35
ALDH1A1 P00352 2/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A6 P11509 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
ERN1 O75460 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL31035787 0.79 BACE1 (0.38) KDM4ENPC1RAB9AMETTL3AHR
SCHEMBL12780463 0.79 AKR1B1 (0.37) KDM4ENPC1RAB9AAHRHDAC1
SCHEMBL4885799 0.79 SMN1; SMN2 (0.53) KDM4ENPC1RAB9AALDH1A1POLB
SCHEMBL31528556 0.76 NPC1 (0.44) KDM4ENPC1RAB9AMETTL3AHR
SCHEMBL4889270 0.76 PARP1 (0.39) KDM4ENPC1RAB9AHDAC1ALDH1A1
SCHEMBL11914801 0.75 PIK3CG (0.55) KDM4ENPC1RAB9AAHRALDH1A1
SCHEMBL13633452 0.73 PIK3CG (0.56) KDM4ENPC1RAB9AMETTL3AHR
SCHEMBL1426603 0.73 HDAC1 (0.50) KDM4ENPC1RAB9AMETTL3AHR
SCHEMBL871327 0.73 PTGS1 (0.51) KDM4ENPC1RAB9AHDAC1ALDH1A1
SCHEMBL31528509 0.73 METTL3 (0.44) KDM4ENPC1RAB9AMETTL3AHR

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
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
WO-2025077671-A1 POLYSUBSTITUTED ARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2025-04-17 WO disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-09 US disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 US disclosed
WO-2019005587-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 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 (10 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 KDM4E 1276/4885NPC1 1887/4885RAB9A 1946/4885
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4306/4885NPC1 196/4885RAB9A 1642/4885
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB KDM4E 1978/4885NPC1 217/4885RAB9A 919/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB KDM4E 1978/4885NPC1 217/4885RAB9A 919/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 KDM4E 1970/4885NPC1 743/4885RAB9A 2152/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL KDM4E 224/4885NPC1 165/4885RAB9A 1781/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 KDM4E 1276/4885NPC1 1887/4885RAB9A 1946/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885

“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.