SCHEMBL22049600

SCHEMBL22049600

O=C(Nc1ccc(C2CCCCC2)nc1)Nc1c[nH]c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 4/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 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
SCHEMBL22049475 0.90 MMP2 (0.40) STING1MMP2GRM4HTR1DHTR1B
SCHEMBL22050711 0.84 CAMKK1 (0.42) STING1POLBCCNE1CDK2CDK5
SCHEMBL22050235 0.82 STING1 (0.42) STING1POLBCCNE1CDK2CDK5
SCHEMBL22049597 0.82 STING1 (0.42) STING1POLBCCNE1CDK2CDK5
SCHEMBL22049461 0.82 BTK (0.46) STING1GRM4
SCHEMBL22049867 0.80 DEGS1 (0.43) MMP2CDK5CDK7CDK9HTR1D
SCHEMBL22050230 0.78 KMT2A (0.55) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL22049829 0.77 CLK2 (0.54) STING1MMP2RAB9A
SCHEMBL22049846 0.75 STING1 (0.42) STING1RAB9ANPC1
SCHEMBL23623141 0.74 STING1 (0.56) STING1CCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 — — WO disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 STING1 1/4885MMP2 4142/4885POLB 430/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 STING1 1/4885MMP2 2663/4885POLB 953/4885

“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.

Send feedback