SCHEMBL22717643

SCHEMBL22717643

Cn1c(Nc2c[nH]c3ccccc23)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 3/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.63
MAPT P10636 8/20 0.59
ALDH1A1 P00352 6/20 0.59
LMNA P02545 5/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL31325644 1.00 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL24995946 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL20715318 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL20918168 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6654114 0.73 ATM (0.52) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1853438 0.72 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL22717647 0.71 GAA (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31325652 0.71 GAA (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL734714 0.70 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL24997095 0.70 RAF1 (0.43) RAB9ANPC1SMN1; SMN2TP53PKM

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-20220227760-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-07-21 US disclosed
EP-3976584-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-06 EP disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020243519-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-03 WO disclosed
WO-2020243519-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-03 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-20220227760-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RAB9A 876/4885NPC1 859/4885SMN1; SMN2 2298/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 RAB9A 1457/4885NPC1 249/4885SMN1; SMN2 2644/4885

“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.