SCHEMBL721663

SCHEMBL721663

CCCn1c(=O)c2[nH]c(C(C)Cc3ccccc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
ADORA2A P29274 1/20 0.63
ADORA2B P29275 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL194851 1.00 KDM4E (0.63) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8706990 1.00 KDM4E (0.63) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8713814 0.90 ADORA2B (0.57) ADORA2B
SCHEMBL7269136 0.90
SCHEMBL8710107 0.89 ADORA2B (0.65) ADORA2AADORA2B
SCHEMBL8705440 0.87
SCHEMBL8705419 0.86
SCHEMBL8710474 0.86
SCHEMBL8705703 0.85
SCHEMBL8710477 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 EP claimed
CN-1041418-C Xanthine derivatives as adenosine A1 receptor antagonists MERRELL DOW PHARMA (US) 1998-12-30 CN claimed
US-5840729-A ATTENUATING COGNITIVE DEFICIT MERRELL PHARMACEUTICALS INC. (US) 1998-11-24 US claimed
EP-0686155-B1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1998-07-29 EP claimed
EP-3876871-A1 SMALL MOLECULE DRUGS AND METHODS TO ACCELERATE OSSEOINTEGRATION The Regents of the University of California (US) 2021-09-15 EP disclosed
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP disclosed
CN-102333777-B Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2014-06-25 CN disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed
WO-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 WO disclosed
CN-1041418-C Xanthine derivatives as adenosine A1 receptor antagonists MERRELL DOW PHARMA (US) 1998-12-30 CN disclosed
US-5840729-A ATTENUATING COGNITIVE DEFICIT MERRELL PHARMACEUTICALS INC. (US) 1998-11-24 US disclosed
EP-0686155-B1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1998-07-29 EP disclosed
EP-0449175-B1 Selective adenosine receptor agents MERRELL PHARMA INC (US) 1997-07-30 EP 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 (3 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-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF KDM4E 4403/4885MEN1 4095/4885ALDH1A1 2171/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 KDM4E 4049/4885MEN1 2307/4885ALDH1A1 694/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 KDM4E 4155/4885MEN1 531/4885ALDH1A1 1583/4885

“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.