SCHEMBL25678080

SCHEMBL25678080

Nc1ncnc2c1c(I)nn2Cc1ccc2c(c1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.48
▸ PIK3CG P48736 2/20 0.45
▸ RET P07949 3/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ DYRK3 O43781 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ ROS1 P08922 2/20 0.42
▸ RPS6KB1 P23443 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CSNK1A1 P48729 2/20 0.42
▸ CSNK1D P48730 2/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ IRAK1 P51617 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ NTRK3 Q16288 2/20 0.42
▸ SLK Q9H2G2 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 1/20 0.42

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
SCHEMBL25678281 0.83 PIK3CD (0.36) PIK3CD
SCHEMBL23150435 0.83 PIK3CD (0.43) PIK3CDPIK3CGRETJAK2DYRK3
SCHEMBL29589300 0.79 BTK (0.60) PIK3CDPIK3CGRETJAK2DYRK3
SCHEMBL19731411 0.79 BTK (0.60) PIK3CDPIK3CGRETJAK2DYRK3
SCHEMBL25678064 0.79 PIK3CG (0.48) PIK3CDPIK3CGRETJAK2DYRK3
SCHEMBL20552990 0.78 ESR2 (0.48) PIK3CDPIK3CGMAP4K4SRCBLK
SCHEMBL29867555 0.78 ESR2 (0.48) PIK3CDPIK3CGMAP4K4SRCBLK
SCHEMBL25678247 0.76 PIK3CD (0.43) PIK3CDPIK3CGRETJAK2DYRK3
SCHEMBL29867706 0.76 PIK3CD (0.39) PIK3CDPIK3CGJAK2SRCBTK
SCHEMBL3832902 0.73 ALDH1A1 (0.47) PIK3CDPIK3CGRETJAK2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2023-06-27 — — 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-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR PIK3CD 142/4885PIK3CG 191/4885RET 1666/4885

“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.

Send feedback