SCHEMBL22828674

SCHEMBL22828674

O=C(Nc1ccc(C(F)(F)F)cn1)Nc1c[nH]nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ TRPV1 Q8NER1 2/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ DEGS1 O15121 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FABP4 P15090 2/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL22828374 0.85 STING1 (0.55) RAB9ANPC1TRPV1MAPTNTRK1
SCHEMBL22828406 0.80 KMT2A (0.62) RAB9AMAPTNTRK1NTRK3MEN1
SCHEMBL22828671 0.79 CLK2 (0.49) RAB9ANPC1TRPV1DYRK1AMAPT
SCHEMBL22828672 0.76 DEGS1 (0.46) RAB9AMAPTDEGS1NTRK1NTRK3
SCHEMBL23719252 0.76 TP53 (0.52) RAB9ANPC1GSK3BMAPTNTRK1
SCHEMBL22049393 0.73 RAB9A (0.56) RAB9ANPC1TRPV1PTGS1GSK3A
SCHEMBL17894101 0.72 PTGS1 (0.74) RAB9ANPC1TRPV1PTGS1DEGS1
SCHEMBL30643217 0.72 PTGS1 (0.74) RAB9ANPC1TRPV1PTGS1DEGS1
SCHEMBL22049615 0.72 RAB9A (0.55) RAB9ANPC1TRPV1PTGS1GSK3A
SCHEMBL3620154 0.71 RAB9A (0.68) RAB9ANPC1TRPV1PTGS1DEGS1

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 7 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-2022140397-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140387-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140403-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140410-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RAB9A 876/4885NPC1 859/4885TRPV1 631/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 RAB9A 1457/4885NPC1 249/4885TRPV1 2675/4885

“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.

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