SCHEMBL22246774

SCHEMBL22246774

CCCCNc1ccc(NC(=O)n2cc(N)c(-c3ccsc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL25120757 0.82 HPGD (0.42) HDAC1FLT4MAPK8MAPK9CSNK2A1
SCHEMBL22246773 0.73 MERTK (0.37) GAAMEN1ALDH1A1MAPTRAB9A
SCHEMBL23719164 0.71 IDH2 (0.41) FYNMEN1POLBMAPTKMT2A
SCHEMBL22246679 0.67 ALDH1A1 (0.54) GAAMEN1ALDH1A1MAPTRAB9A
SCHEMBL28697839 0.65 GAA (0.58) GAAHDAC1ALDH1A1POLBRAB9A
SCHEMBL8585239 0.61 FYN (0.45) DYRK1AAURKBPRKD2FYNMAPT
SCHEMBL7456314 0.60 KCNH2 (0.40) HDAC1DYRK1AAURKBPRKD2MEN1
SCHEMBL181559 0.60 MAPT (0.52) GAAALDH1A1MAPTRAB9ACNR1
SCHEMBL28295946 0.59 TP53 (0.73) GAAHDAC1MEN1ALDH1A1MAPT
SCHEMBL791177 0.59 APP (0.46) ALDH1A1MAPTRAB9AMERTKCNR1

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 2 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-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 — — 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 (1 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 GAA 272/4885HDAC1 1889/4885FLT4 3845/4885

“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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