SCHEMBL29791434

SCHEMBL29791434

COc1nc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2C(=O)NC3)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.59
▸ ROS1 P08922 4/20 0.59
▸ INSR P06213 13/20 0.57
▸ IGF1R P08069 13/20 0.57
▸ EGFR P00533 5/20 0.54
▸ CHEK1 O14757 2/20 0.54
▸ AURKA O14965 2/20 0.54
▸ NUAK1 O60285 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ STK10 O94804 2/20 0.54
▸ PRKD3 O94806 2/20 0.54
▸ CHEK2 O96017 2/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ ERBB2 P04626 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ FES P07332 2/20 0.54
▸ CSF1R P07333 2/20 0.54
▸ YES1 P07947 2/20 0.54
▸ LYN P07948 2/20 0.54

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
SCHEMBL24620263 1.00 ALK (0.59) ALKROS1INSRIGF1REGFR
SCHEMBL29791425 0.93 ALK (0.67) ALKROS1INSRIGF1REGFR
SCHEMBL24620376 0.93 ALK (0.67) ALKROS1INSRIGF1REGFR
SCHEMBL24620261 0.89 ALK (0.52) ALKROS1INSRIGF1REGFR
SCHEMBL24620243 0.86 ALK (0.56) ALKROS1INSRIGF1REGFR
SCHEMBL29791462 0.86 ALK (0.56) ALKROS1INSRIGF1REGFR
SCHEMBL22462106 0.83 INSR (0.77) ALKROS1INSRIGF1REGFR
SCHEMBL24620619 0.82 ALK (0.64) ALKROS1INSRIGF1REGFR
SCHEMBL29791360 0.82 ALK (0.64) ALKROS1INSRIGF1REGFR
SCHEMBL24620270 0.82 ALK (0.52) ALKROS1EGFRPTK2MAPK3

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
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 claimed
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 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

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 430/4885ROS1 533/4885INSR 1031/4885

“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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