SCHEMBL31739791

SCHEMBL31739791

COc1cc2ncc(-c3ccc(C#N)c(NC4CC(F)CN4C(=O)O)n3)n2nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.38
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ NSD2 O96028 1/20 0.30

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
SCHEMBL27327095 0.80 FLT3 (0.42) LRRK2NRASFLT3IRAK4IGF1R
SCHEMBL27331052 0.80 FLT3 (0.42) LRRK2NRASFLT3IRAK4IGF1R
SCHEMBL30698339 0.80 FLT3 (0.42) LRRK2NRASFLT3IRAK4IGF1R
SCHEMBL30698312 0.80 IKBKE (0.40) LRRK2NRASFLT3KDM4EALDH1A1
SCHEMBL27327915 0.79 FLT3 (0.46) LRRK2NRASFLT3IRAK4CDK2
SCHEMBL31739845 0.79 FLT3 (0.46) LRRK2NRASFLT3IRAK4CDK2
SCHEMBL27327913 0.77 NRAS (0.51) NRASFLT3IRAK4
SCHEMBL31739786 0.77 NRAS (0.51) NRASFLT3IRAK4
SCHEMBL27332547 0.77 NRAS (0.51) NRASFLT3IRAK4
SCHEMBL30698331 0.76 NRAS (0.40) NRASFLT3

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 LRRK2 671/4885NRAS 371/4885FLT3 1/4885

“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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