SCHEMBL25934943

SCHEMBL25934943

O=c1ccc(-c2cncc(NCC3=CCCC=C3)c2)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ FYN P06241 1/20 0.30
▸ RET P07949 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ ITK Q08881 1/20 0.30

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
SCHEMBL24137482 0.76 KCNH2 (0.46) CYP11B2FYNKDR
SCHEMBL25935625 0.76 INPPL1 (0.39) CYP11B2FYNRETKDR
SCHEMBL25935552 0.74 PIK3C3 (0.40) CYP11B2
SCHEMBL25935700 0.73 PIK3C3 (0.37) FYN
SCHEMBL26701792 0.66 KDM4E (0.38) —
SCHEMBL11455881 0.64 PDGFRB (0.47) MAP4K4PDGFRBPDGFRACYP11B2
SCHEMBL14878578 0.61 HTT (0.44) —
SCHEMBL13575357 0.61 AURKA (0.50) MAP4K4PDGFRBPDGFRASRCFLT3
SCHEMBL22554045 0.59 ALDH1A1 (0.43) MAP4K4CYP11B2
SCHEMBL24137564 0.58 PKM (0.49) CYP11B2KDR

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 MAP4K4 50/4885PDGFRB 1023/4885PDGFRA 1381/4885

“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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