SCHEMBL22179969

SCHEMBL22179969

Cc1ncnc2ccc(-c3nnc(NC(=O)N(C)C)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ DHODH Q02127 7/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAP4K4 O95819 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL30738512 1.00 LMNA (0.43) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL22179952 0.85 NAMPT (0.41) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL23965728 0.81 MAP4K4 (0.36) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL30738319 0.77 ADORA2A (0.59) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL20392686 0.77 ADORA2A (0.59) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL21621174 0.76 ADORA1 (0.46) CYP1A2CLK4ABL1MAP4K4POLB
SCHEMBL22179956 0.75 NPC1 (0.42) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL30738378 0.75 NPC1 (0.42) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL21621285 0.74 MAP4K4 (0.46) LMNACYP1A2CYP3A4CLK4USP2
SCHEMBL29947049 0.74 MAP4K4 (0.46) LMNACYP1A2CYP3A4CLK4USP2

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-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-23 — — US disclosed
WO-2020135210-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-07-02 — — 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-20210395226-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF ADORA2A, ADORA1, ADORA3 LMNA 1702/4885CYP1A2 257/4885CYP3A4 264/4885

“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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