SCHEMBL30596229

SCHEMBL30596229

CNc1ccc(-c2cncc(NCc3ccccc3)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.52
▸ EGFR P00533 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ INPPL1 O15357 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL24137788 1.00 KCNH2 (0.52) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL24137837 0.84 BRAF (0.53) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL30596228 0.84 PIK3C3 (0.48) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL24137484 0.84 PIK3C3 (0.48) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL24137801 0.81 VNN1 (0.47) GPR55ALDH1A1HPGDMEN1KMT2A
SCHEMBL13743125 0.80 KCNH2 (0.56) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL25938463 0.78 BRAF (0.45) EGFRCYP11B2CCNT1CDK9FYN
SCHEMBL28563905 0.77 KCNH2 (0.51) KCNH2EGFRPIK3CACYP11B2KDR
SCHEMBL4932096 0.76 KCNH2 (0.53) KCNH2CYP11B2KDRAKT1CDK9
SCHEMBL25935625 0.76 INPPL1 (0.39) KCNH2CYP11B2KDRGPR55INPPL1

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 KCNH2 718/4885EGFR 800/4885PIK3CA 234/4885

“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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