SCHEMBL28454

SCHEMBL28454

CCCCCCCCCCCCNC(CCCCCCCCC(C)O)n1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 4/20 0.41
ACHE P22303 2/20 0.41
PIK3CD O00329 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
ADORA1 P30542 1/20 0.41
NTSR1 P30989 1/20 0.41
MC3R P41968 1/20 0.41
NOTUM Q6P988 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
GDA Q9Y2T3 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40

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
SCHEMBL9279475 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL2039820 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL8804033 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9276567 1.00 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9389745 0.94 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL8978234 0.91 ADORA2B (0.41) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL2733652 0.91 ADORA2B (0.42) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9284660 0.90 ADORA2B (0.40) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL9385319 0.84 ADORA2B (0.41) ADORA2BLMNASMN1; SMN2ADORA2AACHE
SCHEMBL21708442 0.83 ADORA2B (0.45) ADORA2BLMNASMN1; SMN2ADORA2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310174-A1 METHODS AND COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER OP NANO CO., LTD. (TW) 2018-04-25 EP claimed
WO-2016197012-A1 METHODS AND COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER ORIENT PHARMA INC. (US) 2016-12-08 WO claimed
WO-2015120254-A1 DISULFIRAM COMPOSITIONS AND TREATMENTS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM (US) 2015-08-13 WO claimed
EP-4161522-A1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS Merck Sharp & Dohme LLC (US) 2023-04-12 EP disclosed
EP-4076452-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
EP-4051712-A1 DOSING REGIMEN OF ANTI-CD27 ANTIBODIES FOR TREATMENT OF CANCER Merck Sharp & Dohme LLC (US) 2022-09-07 EP disclosed
WO-2021252316-A1 GRANULAR COMPOSITION OF AN ERK INHIBITOR AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-12-16 WO disclosed
US-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-09-16 US disclosed
WO-2021126731-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2021126732-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2021126728-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-1226136-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-31 EP disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 WO disclosed
WO-2002032861-A2 ORALLY ACTIVE SALTS WITH TYROSINE KINASE ACTIVITY MERCK & CO., INC. (US) 2002-04-25 WO disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed
WO-2001029025-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-04-26 WO disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 WO disclosed
EP-0708645-A1 USE OF COMPOUNDS WHICH INHIBIT PHOSPHATIDIC ACID FORMATION FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 1996-05-01 EP disclosed
WO-1995024199-A2 USE OF COMPOUNDS WHICH INHIBIT PHOSPHATIDIC ACID FORMATION FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 1995-09-14 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 (1 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-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY ALK, BRAF, DSTYK ADORA2B 2710/4885LMNA 2916/4885SMN1; SMN2 4396/4885

“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.