SCHEMBL22803545

SCHEMBL22803545

c1ccc(-c2ccc(Nc3ccc4[nH]ccc4c3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MAP3K11 Q16584 2/20 0.53
EGFR P00533 3/20 0.50
KDR P35968 2/20 0.50
FLT1 P17948 1/20 0.50
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
LYN P07948 1/20 0.48
AXL P30530 1/20 0.48
CDK8 P49336 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FGFR2 P21802 1/20 0.45
FLT3 P36888 1/20 0.45
ABL1 P00519 2/20 0.43
PRKD1 Q15139 1/20 0.43
BCR P11274 1/20 0.42

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
SCHEMBL30302538 0.90 AXL (0.48) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL22803680 0.90 AXL (0.48) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL30302584 0.82 NPC1 (0.55) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL22803769 0.82 NPC1 (0.55) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL22803544 0.77 EGFR (0.51) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL30302573 0.77 EGFR (0.51) NPC1MAP3K11EGFRKDRFLT1
SCHEMBL30625879 0.76 TNIK (0.53) NPC1EGFRKDRFLT1PRKCQ
SCHEMBL22803547 0.76 EGFR (0.43) NPC1EGFRFLT1HDAC6MAPT
SCHEMBL22803754 0.75 IGF1R (0.49) NPC1EGFRKDRFLT1MAPT
SCHEMBL12127169 0.75 MAOB (0.64) NPC1EGFRKDRFLT1PRKCQ

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
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US 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

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 NPC1 830/4885MAP3K11 582/4885EGFR 1391/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 NPC1 249/4885MAP3K11 935/4885EGFR 2810/4885

“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.