SCHEMBL30813465

SCHEMBL30813465

COc1ccc(CNc2ncnc3c2c(I)nn3C2CN(C(=O)OC(C)(C)C)C2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ CYP1A2 P05177 10/20 0.40
▸ CYP3A4 P08684 10/20 0.40
▸ CYP2C19 P33261 10/20 0.40
▸ CYP2D6 P10635 9/20 0.40
▸ CLK4 Q9HAZ1 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ MAPK1 P28482 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ USP2 O75604 4/20 0.40
▸ CYP2C9 P11712 6/20 0.39
▸ TSHR P16473 6/20 0.39
▸ CCRL2 O00421 1/20 0.39
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL30813541 0.93 BTK (0.46) SRCABL1EGFRABL2PDE9A
SCHEMBL30813419 0.92 EPHX2 (0.44) RETKDRSRCABL1EGFR
SCHEMBL27217814 0.90 RET (0.40) RETKDRSRCABL1EGFR
SCHEMBL30813475 0.90 RET (0.40) RETKDRSRCABL1EGFR
SCHEMBL27217953 0.90 CYP1A2 (0.42) EGFRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21903703 0.88 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL27217855 0.84 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6CLK4
SCHEMBL27217885 0.84 BTK (0.45) SRCABL1EGFRABL2EPHX2
SCHEMBL27217920 0.84 ERBB2 (0.44) EGFRPDE9AKMT2ABTK
SCHEMBL30813648 0.84 EPHX2 (0.43) RETKDRSRCABL1EGFR

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 RET 2117/4885KDR 4752/4885SRC 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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