SCHEMBL22044104

SCHEMBL22044104

O=C(NCc1ccc(Cl)c(Cl)c1)c1csc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.49
▸ MAPK1 P28482 7/20 0.48
▸ MAPK3 P27361 6/20 0.48
▸ MAOB P27338 1/20 0.48
▸ IDO1 P14902 1/20 0.46
▸ TTK P33981 1/20 0.44
▸ WDR5 P61964 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL22044451 0.90 ITK (0.53) ITKMAPK1MAPK3TTKMEN1
SCHEMBL22044530 0.88 MAPK1 (0.60) ITKMAPK1MAPK3TTKMAPK8
SCHEMBL22044040 0.87 ITK (0.62) ITKMAPK1MAPK3TTKALDH1A1
SCHEMBL22043984 0.86 ITK (0.53) ITKMAPK1MAPK3TTKMEN1
SCHEMBL22044531 0.83 MAPK1 (0.55) ITKMAPK1MAPK3MAPK8
SCHEMBL22044051 0.82 MLYCD (0.51) ITKMAPK1MAPK3MEN1KMT2A
SCHEMBL22044844 0.81 ITK (0.48) ITKMAPK1MAPK3TTKMAPK8
SCHEMBL22044456 0.81 MAPK1 (0.61) ITKMAPK1MAPK3MEN1ALDH1A1
SCHEMBL22044045 0.79 RAB9A (0.62) ITKMAPK1MAPK3MEN1ALDH1A1
SCHEMBL22043981 0.76 FLT3 (0.55) ITKMAPK1IDO1

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 ITK 2603/4885MAPK1 3146/4885MAPK3 1726/4885

“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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