SCHEMBL24270657

SCHEMBL24270657

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2cc(Nc3ccc4ncccc4c3)ncc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 16/20 0.58
▸ PRKDC P78527 10/20 0.58
▸ MTOR P42345 11/20 0.55
▸ PIK3CD O00329 4/20 0.55
▸ PIK3CG P48736 4/20 0.55
▸ PIK3CB P42338 3/20 0.55
▸ PIK3C2A O00443 2/20 0.55
▸ PIK3C2B O00750 2/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ CSF1R P07333 1/20 0.55
▸ MET P08581 1/20 0.55
▸ PIK3R1 P27986 1/20 0.55
▸ LTK P29376 1/20 0.55
▸ CDK7 P50613 1/20 0.55
▸ NEK2 P51955 1/20 0.55
▸ JAK3 P52333 1/20 0.55
▸ LIMK1 P53667 1/20 0.55
▸ ACVR1 Q04771 1/20 0.55
▸ MAP4K2 Q12851 1/20 0.55

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
SCHEMBL29492863 1.00 PIK3CA (0.58) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492846 0.90 PIK3CA (0.62) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270535 0.90 PIK3CA (0.62) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270662 0.85 PIK3CA (0.44) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL928021 0.78 MTOR (0.87) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL28875487 0.76 MTOR (0.48) MTOR
SCHEMBL24270530 0.75 PIK3CA (0.78) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492843 0.75 PIK3CA (0.78) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270543 0.74 PIK3CA (0.47) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270867 0.74 PRKDC (0.70) PIK3CAPRKDCMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 — — 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-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP PIK3CA 302/4885PRKDC 64/4885MTOR 571/4885

“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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