SCHEMBL22044058

SCHEMBL22044058

O=C(Nc1ccccc1)c1csc(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ BRAF P15056 1/20 0.43
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ KDR P35968 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL22043981 0.85 FLT3 (0.55) TP53RAB9AROCK1ROCK2KDR
SCHEMBL22044845 0.82 LMNA (0.56) LMNARAB9ANAMPTNPC1
SCHEMBL22044852 0.81 ROCK1 (0.62) LMNARAB9AROCK1ROCK2NAMPT
SCHEMBL22044439 0.81 BRAF (0.53) RAB9AROCK1ROCK2BRAFKCNK3
SCHEMBL22044904 0.80 DYRK1A (0.51) LMNATP53RAB9AROCK1ROCK2
SCHEMBL22044055 0.80 NPC1 (0.53) TP53RAB9AROCK1CCNA2CDK2
SCHEMBL22044049 0.79 JAK2 (0.46) ROCK1ROCK2BRAFKCNK3KCNK9
SCHEMBL5538994 0.79 ROCK1 (0.47) ROCK1ROCK2BRAFKCNK3KCNK9
SCHEMBL22044847 0.77 FLT3 (0.59) RAB9AJAK2JAK1CCNA2CDK2
SCHEMBL22044120 0.77 CHEK1 (0.46) RAB9AROCK1ROCK2JAK2JAK1

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 LMNA 4198/4885TP53 30/4885RAB9A 51/4885

“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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