SCHEMBL24620221

SCHEMBL24620221

COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)NC4)n1)CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.53
▸ ALK Q9UM73 7/20 0.52
▸ EGFR P00533 3/20 0.50
▸ INSR P06213 1/20 0.50
▸ LRRK2 Q5S007 5/20 0.47
▸ BTK Q06187 1/20 0.46

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
SCHEMBL24620173 0.97 ALK (0.52) MAP4K1ALKEGFRINSRLRRK2
SCHEMBL24620306 0.97 ALK (0.52) MAP4K1ALKEGFRINSRLRRK2
SCHEMBL30833020 0.89 MAP4K1 (0.70) MAP4K1
SCHEMBL24620496 0.89 MAP4K1 (0.70) MAP4K1
SCHEMBL24620500 0.89 MAP4K1 (0.70) MAP4K1
SCHEMBL29791331 0.88 ALK (0.64) MAP4K1ALKINSR
SCHEMBL24620253 0.88 ALK (0.64) MAP4K1ALKINSR
SCHEMBL24620356 0.87 ALK (0.56) MAP4K1ALKEGFRINSRBTK
SCHEMBL30833037 0.87 ALK (0.56) MAP4K1ALKEGFRINSRBTK
SCHEMBL24620224 0.86 ALK (0.54) MAP4K1ALKINSRBTK

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 MAP4K1 55/4885ALK 430/4885EGFR 1022/4885

“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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