SCHEMBL218725

SCHEMBL218725

CC(C)(O)c1ccnc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.45
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SYK P43405 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GABRA1 P14867 4/20 0.33
IDO1 P14902 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM5B Q9UGL1 2/20 0.32
KDM5A P29375 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ADRB2 P07550 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
SCHEMBL30847943 1.00 AR (0.45) ARCYP3A4TSHRCYP2C19SYK
SCHEMBL295096 0.83 AR (0.41) ARTSHRIDO1NOS3NOS2
SCHEMBL29839612 0.83 AR (0.41) ARTSHRIDO1NOS3NOS2
SCHEMBL23364859 0.81 AR (0.44) ARCYP3A4TSHRCYP2C19HCRTR1
SCHEMBL23364860 0.81 AR (0.44) ARCYP3A4TSHRCYP2C19HCRTR1
SCHEMBL29828323 0.81 AR (0.44) ARCYP3A4TSHRCYP2C19HCRTR1
Bromide SCHEMBL15414765 0.81 AR (0.40) ARTSHRIDO1NOS3NOS2
SCHEMBL14636523 0.79 NOS3 (0.39) ARIDO1KDM1AHDAC1HDAC6
SCHEMBL568588 0.79 NOS3 (0.39) ARIDO1KDM1AHDAC1HDAC6
SCHEMBL22140291 0.78 AR (0.41) ARIDO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655304-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-03 EP disclosed
EP-4577536-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY Hotspot Therapeutics, Inc. (US) 2025-07-02 EP disclosed
US-12258328-B2 6-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2025-03-25 US disclosed
WO-2024177362-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 WO disclosed
US-20240150365-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. 2024-05-09 US disclosed
US-20240150321-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. 2024-05-09 US disclosed
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2024044344-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
US-20230090406-A1 6-MEMBERED HETEROARYL-CONTAINING AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-23 US disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 WO disclosed
US-6743802-B2 ASTHMA THERAPY; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-06-01 US disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
US-6677351-B2 USEFUL IN TREATMENT OF ASTHMA AND INFLAMMATION MERCK FROSST CANADA & CO. (CA) 2004-01-13 US disclosed
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2003-06-19 US disclosed
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2003-05-22 US disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 WO disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 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 (7 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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A AR 3152/4885CYP3A4 52/4885TSHR 2757/4885
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE7A AR 3189/4885CYP3A4 98/4885TSHR 3578/4885
US-20240150321-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 AR 3413/4885CYP3A4 1224/4885TSHR 3346/4885
US-20030114478-A1 Alkyne-aryl phosphodiesterase-4 inhibitors PDE4A, PDE3B, PDE4B AR 1624/4885CYP3A4 47/4885TSHR 2885/4885
US-20230090406-A1 6-MEMBERED HETEROARYL-CONTAINING AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 AR 835/4885CYP3A4 2065/4885TSHR 2419/4885
US-20240150365-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B AR 4242/4885CYP3A4 1034/4885TSHR 3380/4885
US-12258328-B2 6-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 AR 835/4885CYP3A4 2065/4885TSHR 2419/4885

“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.