SCHEMBL22043979

SCHEMBL22043979

O=C(NCc1c(F)cccc1Cl)c1csc(-c2n[nH]c3cccc(Cl)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.51
▸ ATM Q13315 1/20 0.44
▸ ROCK2 O75116 8/20 0.44
▸ ROCK1 Q13464 5/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ MAP2K4 P45985 3/20 0.42
▸ TTK P33981 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ MAPK3 P27361 2/20 0.42

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
SCHEMBL22044531 0.90 MAPK1 (0.55) MAPK1ATMROCK2ROCK1P2RX7
SCHEMBL22043983 0.85 MAPK1 (0.49) MAPK1ATMROCK2ROCK1P2RX7
SCHEMBL22044530 0.83 MAPK1 (0.60) MAPK1MAP2K4TTKMAPK3
SCHEMBL22043985 0.83 MAPK1 (0.48) MAPK1ATMROCK2ROCK1P2RX7
SCHEMBL22044844 0.82 ITK (0.48) MAPK1ROCK2MAP2K4TTKMAPK3
SCHEMBL22043969 0.82 MAPK1 (0.47) MAPK1ATMROCK2ROCK1P2RX7
SCHEMBL22044571 0.77 ROCK2 (0.46) MAPK1ATMROCK2ROCK1KLKB1
SCHEMBL22043982 0.76 MAPK1 (0.61) MAPK1ROCK2ROCK1MAP2K4TTK
SCHEMBL22043992 0.75 MAPK1 (0.63) MAPK1ROCK2ROCK1P2RX7MAP2K4
SCHEMBL22044044 0.74 MAPK1 (0.54) MAPK1ATMROCK2ROCK1P2RX7

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 3146/4885ATM 3850/4885ROCK2 1660/4885

“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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