SCHEMBL552775

SCHEMBL552775

OB(O)c1cccc(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
NOTUM Q6P988 1/20 0.44
KAT6A Q92794 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 5/20 0.41
MAPK1 P28482 2/20 0.41
PDK2 Q15119 1/20 0.40
MGLL Q99685 1/20 0.39
GLS O94925 1/20 0.38
NPC1 O15118 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MPO P05164 1/20 0.37

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
SCHEMBL23019043 0.88 ENPP2 (0.45) LMNAERCC1ERCC4NOTUMKAT6A
SCHEMBL5934873 0.81 NOTUM (0.57) LMNAERCC1ERCC4NOTUMKAT6A
SCHEMBL540011 0.80 NOTUM (0.58) LMNANOTUMKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL6006151 0.79 NOTUM (0.55) LMNAERCC1ERCC4NOTUMKAT6A
SCHEMBL29134867 0.78 KEAP1 (0.63) NOTUMKDM4EALDH1A1ENPP2MGLL
SCHEMBL30016360 0.78 KEAP1 (0.63) NOTUMKDM4EALDH1A1ENPP2MGLL
SCHEMBL31057726 0.78 KDM4E (0.44) LMNAERCC1ERCC4NOTUMKAT6A
Hydrochloric Acid SCHEMBL30710779 0.77 KDM4E (0.43) LMNAERCC1ERCC4NOTUMKAT6A
SCHEMBL27785304 0.77 LMNA (0.45) LMNAERCC1ERCC4NOTUMKAT6A
SCHEMBL16115191 0.77 KAT6A (0.41) LMNANOTUMKAT6AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2023-03-30 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4069678-A1 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2022-10-12 EP disclosed
CN-115052862-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-13 CN disclosed
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN disclosed
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-12-07 US disclosed
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
WO-2006058648-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS 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-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 LMNA 2924/4885ERCC1 4157/4885ERCC4 3724/4885
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA LMNA 2615/4885ERCC1 3669/4885ERCC4 3638/4885
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 LMNA 1317/4885ERCC1 3314/4885ERCC4 3610/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A LMNA 422/4885ERCC1 4066/4885ERCC4 2970/4885
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR LMNA 4685/4885ERCC1 4716/4885ERCC4 4795/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 LMNA 4537/4885ERCC1 2119/4885ERCC4 3482/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 LMNA 3425/4885ERCC1 1838/4885ERCC4 574/4885

“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.