SCHEMBL1369575

SCHEMBL1369575

CC(C)c1cnn2c(N)ccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
HTT P42858 1/20 0.34
DGAT1 O75907 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
NPC1 O15118 4/20 0.32
MAPT P10636 4/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDK2 P24941 4/20 0.31
CDK9 P50750 4/20 0.31

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
SCHEMBL6228444 0.88 TYK2 (0.37) KDM4EHTTDGAT1SMPD3NPC1
SCHEMBL11951634 0.81 KDM4E (0.38) KDM4EHTTALDH1A1CDK2CDK9
SCHEMBL12913573 0.81 GPR119 (0.37) KDM4EHTTALDH1A1HPGDMAPK1
SCHEMBL20558034 0.79 GPR119 (0.36) KDM4EHTTDGAT1NPC1MAPT
SCHEMBL20542201 0.79 KDM4E (0.34) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL32686016 0.77 KDM4E (0.56) KDM4EHTTSMPD3NPC1MAPT
SCHEMBL30579310 0.77 SMPD3 (0.35) KDM4EHTTSMPD3NPC1MAPT
SCHEMBL125976 0.76 SMPD3 (0.50) KDM4EHTTSMPD3NPC1MAPT
SCHEMBL11951631 0.76 AHR (0.40) KDM4ENPC1MAPTRAB9AMAPK1
Hydrochloric Acid SCHEMBL6805756 0.74 SMPD3 (0.48) KDM4EHTTSMPD3NPC1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 EP disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-8067424-B2 Selective inhibitors for cyclin-dependent kinases EMORY UNIVERSITY (US) 2011-11-29 US disclosed
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases EMORY UNIVERSITY 2010-10-14 US 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 (6 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS KDM4E 3337/4885HTT 3938/4885DGAT1 1343/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS KDM4E 3337/4885HTT 3938/4885DGAT1 1343/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 KDM4E 4116/4885HTT 4641/4885DGAT1 2784/4885
US-20100261683-A1 Selective Inhibitors for Cyclin-Dependent Kinases CDK7, CCNK, CDK17 KDM4E 864/4885HTT 2276/4885DGAT1 2185/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS KDM4E 3160/4885HTT 4831/4885DGAT1 1483/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4005/4885HTT 4735/4885DGAT1 2700/4885

“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.