SCHEMBL8826403

SCHEMBL8826403

CCn1cnc2cnc(NC)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
ALDH1A1 P00352 5/20 0.41
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
HSD17B10 Q99714 5/20 0.41
GLA P06280 3/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
RPS6KA3 P51812 1/20 0.41
TMIGD3 P0DMS9 2/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCR4 P51679 1/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL18520823 0.80 CDK1 (0.53) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL28038019 0.78 TMIGD3 (0.50) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL18521150 0.77 YTHDC1 (0.43) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL9738685 0.77 AXL (0.47) RPS6KA3TSHRMAPK1ADORA2AADORA1
SCHEMBL9738442 0.76 PDE4A (0.56) RPS6KA3CCR4ADORA2AADORA1MAPK8
SCHEMBL9583567 0.76 ALDH1A1 (0.44) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL21943365 0.76 TMIGD3 (0.41) CYP1A2ALDH1A1CASP1CASP7HSD17B10
SCHEMBL5839419 0.76 FGFR1 (0.40) ALDH1A1HSD17B10HPGDRPS6KA3CDK1
SCHEMBL14642669 0.76 CDK1 (0.56) ALDH1A1HSD17B10HPGDTMIGD3CDK1
SCHEMBL25819506 0.75 ADORA2A (0.41) CYP1A2ALDH1A1CASP1CASP7HSD17B10

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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
US-5663154-A VIRICIDES, HIV, HEPATITIS GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
EP-0625158-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-23 EP disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 WO 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CYP1A2 1793/4885ALDH1A1 4185/4885CASP1 87/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS CYP1A2 4765/4885ALDH1A1 3352/4885CASP1 608/4885
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 CYP1A2 1468/4885ALDH1A1 4323/4885CASP1 113/4885

“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.