SCHEMBL24620341

SCHEMBL24620341

COc1c(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)NC4)n2)ccc(N2C[C@H]3CN(C)C[C@H]3C2)c1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.42
▸ LRRK2 Q5S007 8/20 0.42
▸ MAP4K1 Q92918 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PTK2 Q05397 2/20 0.39

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
SCHEMBL24620308 0.91 ALK (0.43) ALKMAP4K1EGFR
SCHEMBL30833022 0.91 ALK (0.43) ALKMAP4K1EGFR
SCHEMBL24620285 0.89 ALK (0.46) ALKLRRK2MAP4K1EGFRPTK2
SCHEMBL24620222 0.88 EGFR (0.47) ALKLRRK2EGFRPTK2
SCHEMBL29791404 0.88 EGFR (0.47) ALKLRRK2EGFRPTK2
SCHEMBL24620286 0.86 PLK1 (0.48) ALKLRRK2EGFRPTK2
SCHEMBL24620287 0.85 ALK (0.47) ALKLRRK2EGFR
SCHEMBL24620340 0.81 ALK (0.44) ALKMAP4K1EGFRPTK2
SCHEMBL30833026 0.81 ALK (0.44) ALKMAP4K1EGFRPTK2
SCHEMBL24620243 0.79 ALK (0.56) ALKLRRK2EGFRPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — US claimed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — US disclosed
WO-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — 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-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 ALK 430/4885LRRK2 586/4885MAP4K1 55/4885

“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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