SCHEMBL22883159

SCHEMBL22883159

CCCc1c(N(N)C(C)(C)C)nc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
TYMP P19971 1/20 0.33
CYP1A2 P05177 2/20 0.32
ADORA1 P30542 2/20 0.32
TMIGD3 P0DMS9 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDPK1 O15530 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 3/20 0.31
PDE3A Q14432 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PDE4A P27815 1/20 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
SCHEMBL21126162 0.80 TYMP (0.33) HPGDTYMPCYP1A2ADORA1TMIGD3
SCHEMBL21126160 0.75 BACE1 (0.41) HPGDTYMPRAB9AALDH1A1KDM4E
SCHEMBL4762365 0.73 ALDH1A1 (0.38) HPGDTYMPCYP1A2ADORA1TMIGD3
SCHEMBL21126207 0.71 NOS2 (0.41) ADORA1ADORA2AADORA2B
SCHEMBL22704417 0.65 NOS2 (0.31)
SCHEMBL4762363 0.64 HRH2 (0.41) HPGDADORA1ALDH1A1KDM4EPDE3A
SCHEMBL23992034 0.62 HPGD (0.38) HPGDCYP1A2PDPK1ALDH1A1CYP2D6
SCHEMBL13911355 0.62 HPGD (0.46) HPGDCYP1A2ADORA1TMIGD3CYP2C9
SCHEMBL24996381 0.61
SCHEMBL9902092 0.61 CYP1A2 (0.42) HPGDCYP1A2ADORA1TMIGD3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287034-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2023-09-14 US disclosed
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 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 (2 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-20230287034-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 HPGD 2153/4885TYMP 1044/4885CYP1A2 3424/4885
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 HPGD 2948/4885TYMP 1289/4885CYP1A2 3365/4885

“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.