SCHEMBL22044874

SCHEMBL22044874

O=C(NCc1cc(C(F)(F)F)ccc1F)c1csc(-c2cnc3cccnn23)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.43
▸ BCR P11274 3/20 0.43
▸ RIPK1 Q13546 9/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ HDAC1 Q13547 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
SCHEMBL22044497 0.86 MLYCD (0.48) ABL1BCRKMT2AMAPK14HDAC1
SCHEMBL22044486 0.83 DDR1 (0.48) ABL1BCRRIPK1
SCHEMBL22044027 0.79 MET (0.42) ABL1BCRLMNAL3MBTL1
SCHEMBL22043989 0.75 HPGD (0.40) HPGDLMNAKMT2ANPSR1L3MBTL1
SCHEMBL22044482 0.75 HPGD (0.38) RIPK1HPGDLMNAKMT2ANPSR1
SCHEMBL22044455 0.71 HPGD (0.43) HPGDLMNAKMT2ANPSR1L3MBTL1
SCHEMBL27931784 0.71 L3MBTL1 (0.52) LMNAKMT2ANPSR1L3MBTL1HDAC1
SCHEMBL22044102 0.70 DDR1 (0.48) ABL1BCRKMT2AMAPK14
SCHEMBL27913563 0.68 DDR1 (0.47) RIPK1LMNAKMT2ANPSR1L3MBTL1
SCHEMBL22044158 0.67 ROCK2 (0.47) ABL1BCR

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 ABL1 297/4885BCR 181/4885RIPK1 1177/4885

“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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