SCHEMBL24177527

SCHEMBL24177527

Nc1ccc(N2CC(C(F)F)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.42
▸ CHRNA4 P43681 6/20 0.42
▸ RXRA P19793 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ CHRNB4 P30926 4/20 0.38
▸ CHRNA3 P32297 4/20 0.38
▸ GCK P35557 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CHRNA7 P36544 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL29742016 0.77 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL162438 0.77 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3GCK
SCHEMBL1393583 0.77 MAPT (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24747233 0.76 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL24177865 0.76 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30316003 0.76 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL29813774 0.75 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17796627 0.75 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL24177864 0.73 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL2722889 0.73 MAPT (0.58) CHRNB2CHRNA4CHRNB4CHRNA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. 2022-01-06 — — 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 (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-20220002267-A1 TYROSINE KINASE 2 INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF TYK2, ABL1, PTK2B CHRNB2 2371/4885CHRNA4 4482/4885RXRA 3051/4885

“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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