SCHEMBL24620376

SCHEMBL24620376

COc1nc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2cccc3c2C(=O)NC3)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.67
▸ ROS1 P08922 6/20 0.67
▸ INSR P06213 3/20 0.49
▸ IGF1R P08069 3/20 0.49
▸ EGFR P00533 3/20 0.49
▸ AXL P30530 1/20 0.48
▸ PTK2 Q05397 2/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ CCNK O75909 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ SLC2A1 P11166 1/20 0.44

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
SCHEMBL29791425 1.00 ALK (0.67) ALKROS1INSRIGF1REGFR
SCHEMBL24620263 0.93 ALK (0.59) ALKROS1INSRIGF1REGFR
SCHEMBL29791434 0.93 ALK (0.59) ALKROS1INSRIGF1REGFR
SCHEMBL29791545 0.88 ALK (0.52) ALKROS1EGFRPTK2
SCHEMBL24620270 0.88 ALK (0.52) ALKROS1EGFRPTK2
SCHEMBL24620284 0.86 ALK (0.67) ALKROS1INSRIGF1REGFR
SCHEMBL29791364 0.86 ALK (0.67) ALKROS1INSRIGF1REGFR
SCHEMBL24620250 0.82 CCNK (0.66) ALKEGFRAXLMAP3K7CCNK
SCHEMBL29791347 0.82 CCNK (0.66) ALKEGFRAXLMAP3K7CCNK
SCHEMBL24620378 0.82 CCNK (0.48) ALKROS1INSRIGF1REGFR

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 430/4885ROS1 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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