SCHEMBL25935625

SCHEMBL25935625

CNc1ccc(-c2cncc(NCC3=CCCC=C3)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 1/20 0.39
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ GPR55 Q9Y2T6 4/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ APP P05067 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
SCHEMBL25935700 0.87 PIK3C3 (0.37) MAPTGSK3BFYN
SCHEMBL25935552 0.86 PIK3C3 (0.40) CYP11B2KCNH2TDO2GSK3B
SCHEMBL30596229 0.76 KCNH2 (0.52) INPPL1KDRCYP11B2CCNT1CDK9
SCHEMBL24137788 0.76 KCNH2 (0.52) INPPL1KDRCYP11B2CCNT1CDK9
SCHEMBL25934943 0.76 MAP4K4 (0.33) RETKDRCYP11B2FYN
SCHEMBL25938463 0.67 BRAF (0.45) CYP11B2PLCG1CCNT1CDK9FYN
SCHEMBL26701792 0.66 KDM4E (0.38) MAPT
SCHEMBL25934164 0.64 FYN (0.45) CYP11B2MAPTCCNT1CDK9KCNH2
SCHEMBL14878578 0.64 HTT (0.44) MAPT
SCHEMBL30596228 0.64 PIK3C3 (0.48) KDRCYP11B2KCNH2FYN

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 INPPL1 647/4885RET 369/4885KDR 2041/4885

“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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