SCHEMBL3604521

SCHEMBL3604521

O=C(NC1=NCCS1)c1cccc(B(O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.68
RAB9A P51151 11/20 0.68
KDM4E B2RXH2 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALOX15 P16050 1/20 0.58
TOP1 P11387 1/20 0.56
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL29956850 0.83 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL11347408 0.81 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL30405967 0.80 NPC1 (0.72) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL11342741 0.78 NPC1 (0.74) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL11345273 0.72 NPC1 (0.73) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL11346555 0.72 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL11351283 0.72 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL1933481 0.71 HDAC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL4396938 0.70 HDAC6 (0.61) KDM4EALOX15
SCHEMBL6340695 0.70 NPC1 (0.77) NPC1RAB9AKDM4ESMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12544448-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2026-02-10 US disclosed
US-20250108117-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-04-03 US disclosed
US-12187746-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2025-01-07 US disclosed
EP-3788050-B1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2024-08-28 EP disclosed
US-12048749-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2024-07-30 US disclosed
US-20240166667-A1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-23 US disclosed
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 CN disclosed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2023-06-27 US disclosed
WO-2018204416-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2018-11-08 WO disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 EP disclosed
EP-2551270-A2 PYRAZOLOPYRMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS The Regents of The University of California (US) 2013-01-30 EP disclosed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 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 (10 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA NPC1 883/4885RAB9A 1456/4885KDM4E 511/4885
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR NPC1 697/4885RAB9A 962/4885KDM4E 1155/4885
US-20250108117-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR NPC1 835/4885RAB9A 612/4885KDM4E 1313/4885
US-12048749-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR NPC1 835/4885RAB9A 612/4885KDM4E 1313/4885
US-12187746-B2 C26-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR NPC1 697/4885RAB9A 962/4885KDM4E 1155/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885KDM4E 1623/4885
US-20240166667-A1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR NPC1 697/4885RAB9A 962/4885KDM4E 1155/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 NPC1 3080/4885RAB9A 1096/4885KDM4E 1623/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR NPC1 2014/4885RAB9A 132/4885KDM4E 2157/4885
US-12544448-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors RICTOR, MTOR, MLST8 NPC1 1726/4885RAB9A 904/4885KDM4E 407/4885

“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.