SCHEMBL22043993

SCHEMBL22043993

O=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.54
▸ CDC7 O00311 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PIM1 P11309 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ HIPK2 Q9H2X6 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ MKNK2 Q9HBH9 1/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.54
▸ PDPK1 O15530 7/20 0.54
▸ CLK1 P49759 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ MLYCD O95822 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PLA2G1B P04054 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL4476811 0.84 ROCK1 (0.58) ROCK2PRKACAGSK3BCLK4KMT2A
SCHEMBL22044466 0.84 MLYCD (0.49) ROCK2CDC7MAP4K4PIM1PRKACA
SCHEMBL13887911 0.81 CYP3A4 (0.61) ROCK2CDK2GSK3BIRAK4DYRK1A
SCHEMBL22044887 0.79 ROCK2 (0.46) ROCK2CDC7MAP4K4CLK4PDPK1
SCHEMBL13887925 0.77 MAPK1 (0.54) MEN1KMT2AGAALMNA
SCHEMBL22044051 0.76 MLYCD (0.51) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL22044497 0.75 MLYCD (0.48) ROCK2MLYCDMEN1KMT2APLA2G1B
SCHEMBL22044904 0.74 DYRK1A (0.51) ROCK2CDC7MAP4K4GSK3BCLK4
SCHEMBL22044102 0.74 DDR1 (0.48) ROCK2MLYCDMEN1KMT2APLA2G1B
SCHEMBL22044851 0.73 MEN1 (0.52) ROCK2CDC7MAP4K4PIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786304-A1 METHOD FOR ADJUSTING RAS UBIQUITINATION Xiamen University (CN) 2021-03-03 — — EP disclosed
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 ROCK2 1660/4885CDC7 786/4885MAP4K4 2087/4885

“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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