SCHEMBL17952250

SCHEMBL17952250

Cc1ccc(-c2ccccc2)cc1N1c2cc(C#N)ccc2N(C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ GRIA2 P42262 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ACLY P53396 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MARK3 P27448 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
SCHEMBL17952253 0.91 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17952319 0.86 ALDH1A1 (0.37) CYP11B1CYP11B2
SCHEMBL17952377 0.84 AR (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12393018 0.84 ALDH1A1 (0.34) BRD4HRH3HTR7
SCHEMBL17952337 0.84 GAA (0.34) BRD4BRD2BRD3GRIA2GRIA4
SCHEMBL17952263 0.84 KDM4E (0.34) BRD4BRD2BRD3GRIA2GRIA4
SCHEMBL17952266 0.84 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17952496 0.83 ALDH1A1 (0.39) FFAR4HTR7
SCHEMBL17952198 0.81 GRIA2 (0.35) BRD4GRIA2GRIA4
SCHEMBL17952380 0.80 CASP3 (0.37) FFAR4CYP11B1CYP11B2HTR7

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-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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 (2 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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 GABRA1 4070/4885GABRG2 4193/4885GABRB3 4071/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 GABRA1 4070/4885GABRG2 4193/4885GABRB3 4071/4885

“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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