SCHEMBL21137206

SCHEMBL21137206

CC(C)n1cnc2c(=O)[nH]c(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HCAR3 P49019 1/20 0.36
HTR3A P46098 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
L3MBTL1 Q9Y468 6/20 0.34
APAF1 O14727 4/20 0.33

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
SCHEMBL18510389 0.83 SMN1; SMN2 (0.49) SMN1; SMN2HCAR3HTR3AALDH1A1MEN1
SCHEMBL23228197 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HCAR3HTR3AALDH1A1MEN1
SCHEMBL18521164 0.81 SMN1; SMN2 (0.51) SMN1; SMN2HCAR3HTR3AALDH1A1MEN1
SCHEMBL20224934 0.79 GDA (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18521157 0.72 CDK2 (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15723760 0.71 MEN1 (0.41) SMN1; SMN2HCAR3ALDH1A1MEN1KMT2A
SCHEMBL18520821 0.71 SMN1; SMN2 (0.40) SMN1; SMN2HCAR3HTR3AALDH1A1MEN1
SCHEMBL23619480 0.71 PNP (0.41) SMN1; SMN2MEN1KMT2AADORA2AADORA1
Hydrochloric Acid SCHEMBL28337380 0.70 MEN1 (0.40) SMN1; SMN2HCAR3ALDH1A1MEN1KMT2A
SCHEMBL10001264 0.69 MEN1 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AADORA2A

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 6 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
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 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 SMN1; SMN2 1815/4885HCAR3 1806/4885HTR3A 3981/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS SMN1; SMN2 1815/4885HCAR3 1806/4885HTR3A 3981/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS SMN1; SMN2 1484/4885HCAR3 2797/4885HTR3A 4187/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS SMN1; SMN2 1484/4885HCAR3 2797/4885HTR3A 4187/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS SMN1; SMN2 1484/4885HCAR3 2797/4885HTR3A 4187/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS SMN1; SMN2 1815/4885HCAR3 1806/4885HTR3A 3981/4885

“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.