SCHEMBL27217947

SCHEMBL27217947

COc1ccc(CNc2ncnc3c2c(I)nn3C2CCCOC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.43
▸ CYP1A2 P05177 14/20 0.42
▸ CYP3A4 P08684 14/20 0.42
▸ CYP2C19 P33261 14/20 0.42
▸ CYP2D6 P10635 12/20 0.42
▸ ALDH1A1 P00352 11/20 0.42
▸ TSHR P16473 11/20 0.42
▸ CLK4 Q9HAZ1 8/20 0.42
▸ USP2 O75604 6/20 0.42
▸ PDE9A O76083 2/20 0.41
▸ CYP2C9 P11712 8/20 0.41
▸ HSD17B10 Q99714 8/20 0.41
▸ MAPK1 P28482 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ LMNA P02545 8/20 0.41
▸ HIF1A Q16665 5/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL30813623 1.00 EGFR (0.43) EGFRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL30813353 0.95 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL27218013 0.95 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL27217798 0.90 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL30813425 0.90 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL27217855 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL30813459 0.89 EGFR (0.42) EGFRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27217884 0.89 EGFR (0.42) EGFRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL30813549 0.85 CLK4 (0.48) EGFRCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27217928 0.85 CLK4 (0.48) EGFRCYP1A2CYP3A4CYP2C19CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US 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 EGFR 4857/4885CYP1A2 4011/4885CYP3A4 3360/4885

“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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