SCHEMBL675830

SCHEMBL675830

Nc1ncnc2c1ncn2C1CCCCO1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.92
PI4K2B Q8TCG2 4/20 0.92
PI4K2A Q9BTU6 4/20 0.92
PI4KB Q9UBF8 4/20 0.92
NFKB1 P19838 2/20 0.92
BLM P54132 2/20 0.92
TP53 P04637 1/20 0.92
CYP2C9 P11712 1/20 0.92
MAPK1 P28482 1/20 0.92
HSD17B10 Q99714 1/20 0.92
MEN1 O00255 1/20 0.92
ALDH1A1 P00352 1/20 0.92
APEX1 P27695 1/20 0.92
KMT2A Q03164 1/20 0.92
ADCY1 Q08828 1/20 0.92
CYP2C19 P33261 1/20 0.68
ADORA2A P29274 4/20 0.65
ADORA3 P0DMS8 2/20 0.65
ADORA1 P30542 2/20 0.65
ADORA2B P29275 1/20 0.61

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
SCHEMBL30988430 1.00 PI4KA (0.92) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL8712264 0.96 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL896095 0.96 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL30352942 0.96 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL31569297 0.84 CYP2C19 (0.74) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL4572213 0.84 CYP2C19 (0.74) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL1324553 0.83 CYP2C19 (0.72) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL115599 0.83 CYP2C19 (0.68) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL219612 0.83 CYP2C19 (0.68) PI4KAPI4K2BPI4K2API4KBNFKB1
SCHEMBL2876046 0.83 CYP2C19 (0.68) PI4KAPI4K2BPI4K2API4KBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324765-A Synthesis method of PI3K inhibitor Du Weili sibutra 江苏海洋大学 2024-07-12 CN claimed
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2026-02-12 US disclosed
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2025-05-29 US disclosed
CN-118324765-A Synthesis method of PI3K inhibitor Du Weili sibutra 江苏海洋大学 2024-07-12 CN disclosed
CN-118324765-A Synthesis method of PI3K inhibitor Du Weili sibutra 江苏海洋大学 2024-07-12 CN disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2022-11-24 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20220265637-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2022-08-25 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-20020061509-A1 Screening assay for the identification of agents which alter expression of PTH-rP OSTEO SCREEN 2002-05-23 US disclosed
US-5914233-A TRANSFORMATION OF TUMOR CELL LINES WITH EXPRESSION VECTOR ENCODING A PROMOTER REGION OF PARATHYROID HORMONE (PTH) LINKED TO REPORTER GENE ENCODING ASSAYABLE CULTURE PRODUCT OSTEO SCREEN (US) 1999-06-22 US disclosed
WO-1998007844-A2 SCREENING ASSAY FOR THE IDENTIFICATION OF AGENTS WHICH ALTER EXPRESSION OF PTH-rP OSTEOSCREEN (US) 1998-02-26 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-20220265637-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PI4KA 8/4885PI4K2B 30/4885PI4K2A 22/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PI4KA 8/4885PI4K2B 30/4885PI4K2A 22/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PI4KA 8/4885PI4K2B 28/4885PI4K2A 24/4885
US-20260042780-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PTEN, PIK3C2A, PIK3CA PI4KA 41/4885PI4K2B 42/4885PI4K2A 62/4885
US-20250170122-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PI4KA 8/4885PI4K2B 30/4885PI4K2A 22/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP PI4KA 4208/4885PI4K2B 4434/4885PI4K2A 4199/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PI4KA 4208/4885PI4K2B 4434/4885PI4K2A 4199/4885
US-20220372048-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PI4KA 11/4885PI4K2B 45/4885PI4K2A 31/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PI4KA 10/4885PI4K2B 43/4885PI4K2A 30/4885

“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.