SCHEMBL27217871

SCHEMBL27217871

C#CCCn1nc(I)c2c(NCc3ccc(OC)cc3OC)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 18/20 0.44
▸ CYP3A4 P08684 18/20 0.44
▸ CYP2C19 P33261 16/20 0.44
▸ CYP2D6 P10635 14/20 0.44
▸ TSHR P16473 13/20 0.44
▸ ALDH1A1 P00352 12/20 0.44
▸ HSD17B10 Q99714 11/20 0.44
▸ CYP2C9 P11712 10/20 0.44
▸ HIF1A Q16665 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CLK4 Q9HAZ1 12/20 0.44
▸ MAPK1 P28482 5/20 0.43
▸ USP2 O75604 7/20 0.43
▸ LMNA P02545 8/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL27218007 0.88 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27217911 0.83 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27217855 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27217635 0.80 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30813523 0.80 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30813495 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27217728 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30813425 0.77 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30813549 0.77 CLK4 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27217798 0.77 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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