SCHEMBL22043989

SCHEMBL22043989

O=C(NCc1cc(C(F)(F)F)ccc1F)c1csc(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ SORT1 Q99523 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ PDPK1 O15530 2/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL22044455 0.88 HPGD (0.43) HPGDKMT2ALMNANPSR1L3MBTL1
SCHEMBL22044466 0.87 MLYCD (0.49) HPGDKMT2ALMNATSHRMLYCD
SCHEMBL22043988 0.83 PDPK1 (0.40) KMT2ALMNANPSR1L3MBTL1CRHR1
SCHEMBL22043985 0.79 MAPK1 (0.48) LMNAL3MBTL1MAPK3MAPK1
SCHEMBL22044874 0.75 ABL1 (0.43) HPGDKMT2ALMNANPSR1L3MBTL1
SCHEMBL22044051 0.74 MLYCD (0.51) HPGDKMT2ALMNAMLYCDMAPK8
SCHEMBL22044486 0.73 DDR1 (0.48) DDR1
SCHEMBL22044058 0.72 LMNA (0.45) LMNANPSR1L3MBTL1FLT3TP53
SCHEMBL22044003 0.72 ROCK2 (0.41) LMNAPDPK1MAPK3MAPK1
SCHEMBL27931784 0.71 L3MBTL1 (0.52) KMT2ALMNANPSR1L3MBTL1SORT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 — — US 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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 HPGD 3023/4885KMT2A 1925/4885LMNA 4198/4885

“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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