SCHEMBL30813527

SCHEMBL30813527

CC(C)n1cc(-c2ccc(N)c3nccn23)c2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.37
▸ TEK Q02763 8/20 0.37
▸ LCK P06239 7/20 0.37
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ SRC P12931 3/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ RET P07949 9/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL27217681 0.96 KDR (0.37) KDRTEKLCKPIK3CDPIK3CA
SCHEMBL30813431 0.84 SRC (0.36) TEKLCKSRCFLT3
SCHEMBL30813564 0.84 SRC (0.41) KDRSRCRETABL1EGFR
SCHEMBL30813416 0.84 SRC (0.32) KDRSRCEGFR
SCHEMBL30813586 0.84 RET (0.35) SRCRET
SCHEMBL30813458 0.83 — —
SCHEMBL30813574 0.83 SRC (0.40) SRCABL1EGFR
SCHEMBL27217993 0.83 SRC (0.31) TEKLCKSRC
SCHEMBL30813443 0.83 FLT3 (0.38) FLT3
SCHEMBL27217889 0.83 — —

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-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US disclosed
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — 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-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 KDR 4752/4885TEK 4263/4885LCK 3171/4885

“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