SCHEMBL27217855

SCHEMBL27217855

COc1ccc(CNc2ncnc3c2c(I)nn3C2CC2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 16/20 0.46
▸ CYP3A4 P08684 16/20 0.46
▸ CYP2C19 P33261 16/20 0.46
▸ TSHR P16473 12/20 0.46
▸ ALDH1A1 P00352 12/20 0.46
▸ CLK4 Q9HAZ1 10/20 0.46
▸ CYP2C9 P11712 9/20 0.46
▸ HSD17B10 Q99714 9/20 0.46
▸ LMNA P02545 8/20 0.46
▸ CYP2D6 P10635 14/20 0.46
▸ MAPK1 P28482 6/20 0.46
▸ USP2 O75604 6/20 0.45
▸ HIF1A Q16665 5/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PDE9A O76083 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALOX15 P16050 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30813549 0.95 CLK4 (0.48) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217928 0.95 CLK4 (0.48) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217798 0.94 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30813425 0.94 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30813353 0.90 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27218013 0.90 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217878 0.90 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30813346 0.90 EGFR (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217779 0.90 EGFR (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217946 0.90 EGFR (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1

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 CYP1A2 4011/4885CYP3A4 3360/4885CYP2C19 4680/4885

“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.

Send feedback