SCHEMBL24651144

SCHEMBL24651144

COc1ccc(CNc2nccc3c2c(I)nn3C2CC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PDE9A O76083 2/20 0.43
▸ CYP1A2 P05177 15/20 0.42
▸ CYP3A4 P08684 15/20 0.42
▸ CYP2C19 P33261 15/20 0.42
▸ CYP2D6 P10635 13/20 0.41
▸ CYP2C9 P11712 8/20 0.41
▸ CLK4 Q9HAZ1 6/20 0.41
▸ TSHR P16473 12/20 0.41
▸ USP2 O75604 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 7/20 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
SCHEMBL23217009 0.90 ALDH1A1 (0.42) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL29844240 0.90 ALDH1A1 (0.42) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL24651143 0.89 CYP1A2 (0.46) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL27217791 0.87 NPC1 (0.42) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL25230106 0.85 KMT2A (0.42) PDE9ATSHRALDH1A1MAPK1MEN1
SCHEMBL30497632 0.85 KMT2A (0.42) PDE9ATSHRALDH1A1MAPK1MEN1
SCHEMBL27217855 0.85 CYP1A2 (0.46) PDE9ACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21903703 0.84 CYP1A2 (0.38) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL20645215 0.84 PDE9A (0.48) NPC1PKMRAB9APDE9ACYP1A2
SCHEMBL22902838 0.84 CYP1A2 (0.38) NPC1PKMRAB9ACYP1A2CYP3A4

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 9 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
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 — — CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 — — CN disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — 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 NPC1 241/4885PKM 1518/4885RAB9A 3372/4885

“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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