SCHEMBL4547884

SCHEMBL4547884

CC(C)c1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
NCF1 P14598 3/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL31326061 1.00 CYP1A2 (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL3824138 0.84 CYP1A2 (0.41) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL27922711 0.84 CYP1A2 (0.41) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL20291101 0.81 PCSK9 (0.43) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL14505627 0.81 CYP1A2 (0.42) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL1306737 0.80 CYP1A2 (0.37) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL31391457 0.79 KDM4E (0.42) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL6877860 0.79 KDM4E (0.42) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL21001965 0.79 CYP1A2 (0.39) CYP1A2HTR3AHRH4KDM4EGPR3
SCHEMBL26479716 0.78 CYP1A2 (0.40) CYP1A2HTR3AHRH4KDM4EGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T REMIX THERAPEUTICS INC. 2024-07-18 US disclosed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-11-16 US disclosed
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-11-16 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 US disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007053495-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 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 (9 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 CYP1A2 1678/4885HTR3A 3685/4885HRH4 4005/4885
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 CYP1A2 4090/4885HTR3A 2105/4885HRH4 3740/4885
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING RBM17, HNRNPA1, HNRNPAB CYP1A2 2014/4885HTR3A 3369/4885HRH4 3815/4885
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 CYP1A2 24/4885HTR3A 266/4885HRH4 403/4885
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP1A2 4609/4885HTR3A 3934/4885HRH4 2304/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 CYP1A2 21/4885HTR3A 428/4885HRH4 417/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 CYP1A2 4537/4885HTR3A 2508/4885HRH4 464/4885
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 CYP1A2 3401/4885HTR3A 1444/4885HRH4 3240/4885
US-20240239811-A1 5-(5-(PIPERIDIN-4-YL)THIENO[3,2-C]PYRAZOL-2-YL]INDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE T HNRNPAB, HNRNPC, HNRNPA1 CYP1A2 3859/4885HTR3A 1658/4885HRH4 2003/4885

“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.