SCHEMBL22044530

SCHEMBL22044530

O=C(NCc1c(Cl)cccc1Cl)c1csc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 10/20 0.60
▸ MAPK3 P27361 7/20 0.51
▸ ITK Q08881 2/20 0.48
▸ MAPK8 P45983 2/20 0.43
▸ MAP2K4 P45985 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ TTK P33981 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ EPHB3 P54753 1/20 0.41
▸ BRD4 O60885 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
SCHEMBL22044531 0.94 MAPK1 (0.55) MAPK1MAPK3ITKMAPK8MAPK10
SCHEMBL22044844 0.89 ITK (0.48) MAPK1MAPK3ITKMAPK8MAP2K4
SCHEMBL22044104 0.88 ITK (0.49) MAPK1MAPK3ITKMAPK8TTK
SCHEMBL22044451 0.88 ITK (0.53) MAPK1MAPK3ITKMAPK8TTK
SCHEMBL22044040 0.87 ITK (0.62) MAPK1MAPK3ITKMAPK8MAP2K4
SCHEMBL22043983 0.83 MAPK1 (0.49) MAPK1MAPK3
SCHEMBL22043984 0.83 ITK (0.53) MAPK1MAPK3ITKMAPK8TTK
SCHEMBL22043979 0.83 MAPK1 (0.51) MAPK1MAPK3MAP2K4TTK
SCHEMBL22044051 0.81 MLYCD (0.51) MAPK1MAPK3ITKMAPK8MAPK10
SCHEMBL22044456 0.80 MAPK1 (0.61) MAPK1MAPK3ITKMAPK8KDM4E

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 3146/4885MAPK3 1726/4885ITK 2603/4885

“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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