SCHEMBL25938463

SCHEMBL25938463

CNc1ccc(-c2cnc(NCc3cccc(-c4cccc(CNc5cncc(-c6ccc(NC(C)=O)nc6)c5)c4)c3)nc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.45
▸ PLCG1 P19174 1/20 0.44
▸ NTRK1 P04629 1/20 0.41
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ FYN P06241 2/20 0.40
▸ PIP4K2A P48426 1/20 0.40
▸ PIP4K2B P78356 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ MAPK15 Q8TD08 1/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL24137837 0.84 BRAF (0.53) BRAFCYP11B2PIK3C3EGFR
SCHEMBL25934164 0.80 FYN (0.45) NTRK1CCNT1CDK9CYP11B2FYN
SCHEMBL30596229 0.78 KCNH2 (0.52) BRAFCCNT1CDK9CYP11B2FYN
SCHEMBL24137788 0.78 KCNH2 (0.52) BRAFCCNT1CDK9CYP11B2FYN
SCHEMBL24137483 0.77 EGFR (0.54) BRAFEGFR
SCHEMBL4193228 0.74 FYN (0.59) BRAFCYP17A1CYP11B1CYP11B2FYN
SCHEMBL25935552 0.73 PIK3C3 (0.40) CYP11B2PIK3C3DYRK1A
SCHEMBL24137801 0.71 VNN1 (0.47) —
SCHEMBL27914469 0.71 WNT3A (0.41) CYP17A1CYP11B1CYP11B2
SCHEMBL25934074 0.71 CLK4 (0.50) NTRK1FYNCHEK1FGFR1CLK1

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 BRAF 91/4885PLCG1 851/4885NTRK1 594/4885

“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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