SCHEMBL22777940

SCHEMBL22777940

c1cnc2ccnc(Nc3ccc4cc[nH]c4c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.58
RET P07949 1/20 0.52
SYK P43405 2/20 0.49
PRKD1 Q15139 1/20 0.47
GRM4 Q14833 2/20 0.43
CYP1A2 P05177 1/20 0.43
RIPK2 O43353 1/20 0.43
KDR P35968 4/20 0.42
MET P08581 3/20 0.42
CSNK2A1 P68400 1/20 0.41
TGFBR1 P36897 1/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL30302532 0.90 EGFR (0.58) EGFRSYKPRKD1GRM4CYP1A2
SCHEMBL22803770 0.90 EGFR (0.58) EGFRSYKPRKD1GRM4CYP1A2
SCHEMBL22803859 0.82 EGFR (0.51) EGFRRETSYKPRKD1GRM4
SCHEMBL30302493 0.82 EGFR (0.51) EGFRRETSYKPRKD1GRM4
SCHEMBL22803860 0.81 SYK (0.50) EGFRRETSYKGRM4CYP1A2
SCHEMBL30302592 0.81 SYK (0.50) EGFRRETSYKGRM4CYP1A2
SCHEMBL30302544 0.80 SYK (0.49) EGFRRETSYKPRKD1GRM4
SCHEMBL22803847 0.80 SYK (0.49) EGFRRETSYKPRKD1GRM4
SCHEMBL22803685 0.78 SYK (0.56) EGFRRETSYKGRM4CYP1A2
SCHEMBL30302581 0.78 SYK (0.56) EGFRRETSYKGRM4CYP1A2

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 EGFR 1391/4885RET 1978/4885SYK 748/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 EGFR 2810/4885RET 752/4885SYK 1069/4885

“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.