SCHEMBL30813419

SCHEMBL30813419

COc1ccc(CNc2ncnc3c2c(I)nn3C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ STS P08842 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ PDE9A O76083 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NR3C1 P04150 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ CTSE P14091 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30813465 0.92 RET (0.40) EPHX2SRCCYP3A4EGFRABL1
SCHEMBL30813541 0.91 BTK (0.46) SRCEGFRABL1ABL2PDE9A
SCHEMBL27217779 0.90 EGFR (0.41) CYP3A4EGFRMAPTCYP2C9PDE9A
SCHEMBL27217837 0.90 EPHX2 (0.43) EPHX2STSSRCCYP3A4EGFR
SCHEMBL30813648 0.90 EPHX2 (0.43) EPHX2STSSRCCYP3A4EGFR
SCHEMBL27217619 0.88 SRC (0.49) EPHX2STSSRCCYP3A4EGFR
SCHEMBL30813369 0.88 SRC (0.49) EPHX2STSSRCCYP3A4EGFR
SCHEMBL27217855 0.86 CYP1A2 (0.46) CYP3A4MAPTCYP2C9PDE9AKMT2A
SCHEMBL30813549 0.84 CLK4 (0.48) SRCCYP3A4EGFRMAPTCYP2C9
SCHEMBL27217928 0.84 CLK4 (0.48) SRCCYP3A4EGFRMAPTCYP2C9

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 EPHX2 2120/4885STS 4814/4885SRC 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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