SCHEMBL30813372

SCHEMBL30813372

CC(C)n1cc(Br)c2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 0.35
▸ RET P07949 5/20 0.35
▸ SRC P12931 4/20 0.35
▸ KDR P35968 6/20 0.34
▸ TEK Q02763 5/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ PRKDC P78527 2/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ VCP P55072 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL27217986 0.94 LCK (0.35) LCKRETSRCKDRTEK
SCHEMBL30813645 0.82 SSTR4 (0.35) LCKSRCTEKPDPK1KDM4E
SCHEMBL20692747 0.80 SRC (0.39) SRCPDPK1ABL1EGFR
SCHEMBL30813487 0.79 USP30 (0.44) LCKKDRTEKPDPK1
SCHEMBL27217877 0.77 SSTR4 (0.34) LCKSRCTEKPDPK1VCP
SCHEMBL30813527 0.75 KDR (0.37) LCKRETSRCKDRTEK
SCHEMBL27217869 0.75 USP30 (0.42) LCKKDRTEK
SCHEMBL27217988 0.74 RET (0.36) LCKRETSRCKDRTEK
SCHEMBL29998193 0.70 RET (0.34) RETPDPK1KDM4EALDH1A1LMNA
SCHEMBL26725853 0.70 JAK2 (0.43) LCKRETSRCKDRPDPK1

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 LCK 3171/4885RET 2117/4885SRC 1597/4885

“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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