SCHEMBL22043982

SCHEMBL22043982

O=C(NCc1c(F)cccc1Cl)c1cccc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.61
▸ MAP2K4 P45985 2/20 0.54
▸ MAPKAPK3 Q16644 1/20 0.54
▸ MAPK6 Q16659 1/20 0.54
▸ CSNK1D P48730 1/20 0.52
▸ MAPK3 P27361 4/20 0.52
▸ ROCK2 O75116 3/20 0.50
▸ ROCK1 Q13464 3/20 0.50
▸ MAPK8 P45983 3/20 0.50
▸ MAPK10 P53779 2/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ TTK P33981 4/20 0.48
▸ ITK Q08881 1/20 0.47

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
SCHEMBL22043992 0.90 MAPK1 (0.63) MAPK1MAP2K4MAPK3ROCK2ROCK1
SCHEMBL22044900 0.87 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL22044044 0.86 MAPK1 (0.54) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL22044052 0.86 MAPK1 (0.54) MAPK1CSNK1DMAPK3ROCK2ROCK1
SCHEMBL22044531 0.85 MAPK1 (0.55) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL22044096 0.83 ROCK2 (0.53) MAPK1ROCK2ROCK1MAPK14
SCHEMBL22044048 0.81 MAPK1 (0.48) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL22044886 0.80 MAPK1 (0.47) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL22044530 0.78 MAPK1 (0.60) MAPK1MAP2K4MAPKAPK3MAPK6CSNK1D
SCHEMBL22044844 0.77 ITK (0.48) MAPK1MAP2K4MAPKAPK3MAPK6MAPK3

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 MAPK1 3146/4885MAP2K4 887/4885MAPKAPK3 1698/4885

“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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