SCHEMBL27344405

SCHEMBL27344405

Clc1ccnc(-c2ccnnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ DYRK1A Q13627 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL2650448 0.78 L3MBTL1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30061028 0.78 L3MBTL1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20743671 0.77 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2443645 0.77 IRAK4 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2666361 0.77 S1PR1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15966607 0.76 CYP2A6 (0.62) KMT2AMAPTDYRK1ACLK4TDP1
SCHEMBL20744163 0.74 CYP2A6 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20743581 0.74 NPC1 (0.41) KMT2AMEN1MAPTIDO1S1PR1
SCHEMBL1673203 0.74 LMNA (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2132620 0.74 MAPT (0.59) KMT2AMEN1MAPTCLK4L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors INCYTE CORPORATION 2024-07-04 — — US disclosed
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors INCYTE CORPORATION 2024-07-04 — — US disclosed
WO-2024108100-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-05-23 — — 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-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors DGKA, DGKG, DGKK GABRA1 3332/4885GABRG2 3114/4885GABRB3 3000/4885

“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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