SCHEMBL30596228

SCHEMBL30596228

CNc1cc(-c2cncc(NCc3ccccc3)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ NOS2 P35228 1/20 0.47
▸ CYP11B2 P19099 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FYN P06241 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL24137484 1.00 PIK3C3 (0.48) PIK3C3KCNH2NOS2CYP11B2ALDH1A1
SCHEMBL25934164 0.86 FYN (0.45) PIK3C3KCNH2CYP11B2ALDH1A1HPGD
SCHEMBL30596229 0.84 KCNH2 (0.52) KCNH2CYP11B2ALDH1A1MEN1HPGD
SCHEMBL24137788 0.84 KCNH2 (0.52) KCNH2CYP11B2ALDH1A1MEN1HPGD
SCHEMBL24137789 0.82 NOS2 (0.51) PIK3C3NOS2ALDH1A1MEN1HPGD
SCHEMBL4932096 0.81 KCNH2 (0.53) KCNH2CYP11B2KDRFYNCLK4
SCHEMBL13743125 0.79 KCNH2 (0.56) KCNH2CYP11B2ALDH1A1KDRFYN
SCHEMBL25935700 0.78 PIK3C3 (0.37) PIK3C3FYN
SCHEMBL4928863 0.75 POLB (0.49) PIK3C3KCNH2ALDH1A1KDRFYN
SCHEMBL24137872 0.74 KCNH2 (0.47) KCNH2CYP11B2KDRFYNEGFR

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 PIK3C3 514/4885KCNH2 718/4885NOS2 3713/4885

“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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