SCHEMBL27217956

SCHEMBL27217956

COc1ccc(CNc2ncnc3c2c(B2OC(C)(C)C(C)(C)O2)cn3C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.45
▸ EGFR P00533 3/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ ABL2 P42684 2/20 0.44
▸ EPHX2 P34913 1/20 0.40
▸ STS P08842 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30813462 1.00 SRC (0.45) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217619 0.86 SRC (0.49) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813369 0.86 SRC (0.49) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217966 0.81 CYP1A2 (0.38) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL30813701 0.81 CYP1A2 (0.38) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL30813537 0.80 SRC (0.48) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217722 0.80 SRC (0.48) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813419 0.79 EPHX2 (0.44) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813518 0.78 CYP1A2 (0.45) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL27217755 0.78 CYP1A2 (0.45) MAPTCYP3A4KMT2AMEN1CYP2C9

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 SRC 1597/4885EGFR 4857/4885ABL1 3937/4885

“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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