SCHEMBL23966804

SCHEMBL23966804

COc1ccc(CNc2nccc3c2c(-c2ccc(N)c(F)c2)cn3C2CC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 17/20 0.42
▸ CYP3A4 P08684 17/20 0.42
▸ CYP2C19 P33261 16/20 0.42
▸ TSHR P16473 13/20 0.42
▸ ALDH1A1 P00352 10/20 0.42
▸ CLK4 Q9HAZ1 9/20 0.42
▸ CYP2C9 P11712 8/20 0.42
▸ LMNA P02545 7/20 0.42
▸ HSD17B10 Q99714 6/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ CYP2D6 P10635 14/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HIF1A Q16665 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ USP2 O75604 7/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALOX15 P16050 2/20 0.39

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
SCHEMBL30180855 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24096504 0.85 EGFR (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29998362 0.85 EGFR (0.41) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL27217801 0.82 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24072921 0.81 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL23966738 0.80 NPC1 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL30180828 0.77 NEK7 (0.56) —
SCHEMBL23966757 0.77 NEK7 (0.56) —
SCHEMBL24034173 0.77 NEK7 (0.44) —
SCHEMBL27217642 0.76 CYP1A2 (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
WO-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 — — WO disclosed
US-20210355130-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2021-11-18 — — US disclosed
US-11161852-B1 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2021-11-02 — — 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 (4 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-20210355130-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 CYP1A2 3421/4885CYP3A4 2521/4885CYP2C19 3667/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CYP1A2 3421/4885CYP3A4 2521/4885CYP2C19 3667/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CYP1A2 4720/4885CYP3A4 4174/4885CYP2C19 4798/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CYP1A2 3421/4885CYP3A4 2521/4885CYP2C19 3667/4885

“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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