SCHEMBL22044486

SCHEMBL22044486

O=C(NCc1cc(C(F)(F)F)ccc1F)c1csc(-c2cnc3cnccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 19/20 0.48
▸ KIT P10721 9/20 0.44
▸ ABL1 P00519 8/20 0.44
▸ BCR P11274 8/20 0.44
▸ DDR2 Q16832 12/20 0.44
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL22044102 0.85 DDR1 (0.48) DDR1KITABL1BCRDDR2
SCHEMBL22044874 0.83 ABL1 (0.43) ABL1BCRRIPK1
SCHEMBL22044907 0.79 ROCK2 (0.45) DDR1KITABL1BCRDDR2
SCHEMBL22044482 0.75 HPGD (0.38) DDR1RIPK1
SCHEMBL22043989 0.73 HPGD (0.40) DDR1
SCHEMBL27931784 0.73 L3MBTL1 (0.52) DDR1
SCHEMBL22044455 0.70 HPGD (0.43) —
SCHEMBL27913563 0.69 DDR1 (0.47) DDR1RIPK1
SCHEMBL22044497 0.69 MLYCD (0.48) ABL1BCR
SCHEMBL22044156 0.68 DDR1 (0.41) DDR1KITABL1BCRDDR2

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 DDR1 3947/4885KIT 287/4885ABL1 297/4885

“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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