SCHEMBL31739613

SCHEMBL31739613

COc1cc2ncc(-c3nc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)c(F)cc3F)n2nc1C(C)(O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CFTR P13569 3/20 0.34
▸ PIK3CD O00329 4/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL30698310 0.86 ALK (0.35) ALKCDK4CCND1CCND3CDK6
SCHEMBL31639210 0.85 USP30 (0.38) ALKCDK4CCND1CCND3CDK6
SCHEMBL24975704 0.84 CFTR (0.35) ALKNSD2DNMT3ACFTRPIK3CD
SCHEMBL26661906 0.84 CFTR (0.35) ALKNSD2DNMT3ACFTRPIK3CD
SCHEMBL31639084 0.84 CDK4 (0.36) ALKCDK4CCND1CCND3CDK6
SCHEMBL30698314 0.84 ALK (0.34) ALKCDK4CCND1CCND3CDK6
SCHEMBL30698347 0.83 ALK (0.38) ALKNSD2DNMT3ACFTRPIK3CD
SCHEMBL27330023 0.82 FLT3 (0.47) NRASFLT3CCNT1CDK9
SCHEMBL30698311 0.82 FLT3 (0.47) NRASFLT3CCNT1CDK9
SCHEMBL27327558 0.82 FLT3 (0.47) NRASFLT3CCNT1CDK9

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-20250368648-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-12-04 — — 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-20250368648-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF FLT3, IRAK1, IRAK2 ALK 128/4885CDK4 482/4885CCND1 1602/4885

“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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