SCHEMBL23786397

SCHEMBL23786397

CNc1ncnn2c(C(C)C)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.37
MAP4K4 O95819 2/20 0.36
CCNT1 O60563 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
TTK P33981 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE2A O00408 6/20 0.32

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
SCHEMBL12253576 0.77 YTHDC1 (0.40) YTHDC1MAP4K4LMNATP53ALDH1A1
SCHEMBL15340435 0.76 ACVRL1 (0.39) ALDH1A1TSHRHSD17B10
SCHEMBL15912317 0.74 CAPN1 (0.30)
SCHEMBL12392894 0.73 MAP4K4 (0.46) YTHDC1MAP4K4LMNAALDH1A1HPGD
SCHEMBL21636973 0.73 YTHDC1 (0.37) YTHDC1MAP4K4LMNATP53PDE2A
SCHEMBL19402848 0.68 RET (0.31)
SCHEMBL21636909 0.66 DGAT1 (0.34) CCNT1CDK2CDK7CDK9CCNH
SCHEMBL23547476 0.65 CDK2 (0.33) CCNT1CDK2CDK7CDK9CCNH
SCHEMBL23176295 0.65 EGLN2 (0.33)
SCHEMBL20224921 0.65 AMPD3 (0.32)

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-20210277046-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 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 YTHDC1 887/4885MAP4K4 3119/4885CCNT1 2764/4885
US-20210277046-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 YTHDC1 842/4885MAP4K4 3199/4885CCNT1 2745/4885

“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.