SCHEMBL29791402

SCHEMBL29791402

CCN1CCN(C2CCN(c3ccc(Nc4ncc(C(F)(F)F)c(Nc5cccc6c5C(=O)NC6)n4)c(OC(F)F)c3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.54
▸ EGFR P00533 5/20 0.50
▸ PLK1 P53350 1/20 0.49
▸ INSR P06213 3/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ FGFR3 P22607 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
SCHEMBL24620572 1.00 ALK (0.54) ALKEGFRPLK1INSRIGF1R
SCHEMBL24620633 0.94 ALK (0.56) ALKEGFRPLK1INSRIGF1R
SCHEMBL30833015 0.94 ALK (0.56) ALKEGFRPLK1INSRIGF1R
SCHEMBL30833018 0.94 ALK (0.61) ALKEGFR
SCHEMBL24620268 0.94 ALK (0.61) ALKEGFR
SCHEMBL24620237 0.92 ALK (0.54) ALKEGFRPLK1INSRIGF1R
SCHEMBL29791543 0.92 ALK (0.54) ALKEGFRPLK1INSRIGF1R
SCHEMBL29791375 0.92 ALK (0.54) ALKEGFRPLK1INSRIGF1R
SCHEMBL27175302 0.92 ALK (0.54) ALKEGFRPLK1INSRIGF1R
SCHEMBL24620234 0.92 ALK (0.56) ALKEGFRPLK1INSRIGF1R

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 4 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
EP-4277902-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-22 — — EP 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 430/4885EGFR 1022/4885PLK1 131/4885

“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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