SCHEMBL29372680

SCHEMBL29372680

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ ALK Q9UM73 6/20 0.36
▸ USP30 Q70CQ3 3/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ RIPK1 Q13546 3/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL24231672 1.00 NRAS (0.42) NRASFLT3ALKUSP30EHMT2
SCHEMBL26359492 0.90 NRAS (0.36) NRASFLT3USP30RIPK1PIK3CD
SCHEMBL24231731 0.87 NRAS (0.47) NRASFLT3ALKUSP30EHMT2
SCHEMBL24231384 0.82 FLT3 (0.51) NRASFLT3IGF1R
SCHEMBL25990669 0.82 FLT3 (0.51) NRASFLT3IGF1R
SCHEMBL30698359 0.81 ALK (0.35) NRASFLT3ALKUSP30EHMT2
SCHEMBL24231361 0.80 FLT3 (0.57) NRASFLT3CDK2
SCHEMBL25992527 0.80 FLT3 (0.57) NRASFLT3CDK2
SCHEMBL25988954 0.80 FLT3 (0.57) NRASFLT3CDK2
SCHEMBL30248534 0.77 USP30 (0.36) NRASFLT3ALKUSP30EHMT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER 2023-09-28 — — US disclosed
WO-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 — — WO 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-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF FLT3, IRAK2, IRAK3 NRAS 259/4885FLT3 1/4885ALK 218/4885

“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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