SCHEMBL17952189

SCHEMBL17952189

Cc1cccc(-c2ccccc2)c1N1c2cc(C#N)c(C#N)cc2N(C)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ MAOA P21397 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ GABRA1 P14867 4/20 0.35
▸ GABRG2 P18507 4/20 0.35
▸ GABRB3 P28472 4/20 0.35
▸ GABRA2 P47869 4/20 0.35
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ AR P10275 1/20 0.34

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
SCHEMBL17952180 0.87 L3MBTL1 (0.39) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952626 0.87 GABRA1 (0.40) ALDH1A1GABRA1GABRG2GABRB3GABRA2
SCHEMBL17952223 0.86 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952340 0.86 ALDH1A1 (0.33) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17947419 0.86 SMN1; SMN2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952527 0.86 SMN1; SMN2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952269 0.83 AR (0.35) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952346 0.83 SMN1; SMN2 (0.38) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952487 0.83 SMN1; SMN2 (0.38) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL17952197 0.80 GRIA2 (0.34) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1

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 CYP1A2 1168/4885CYP2C9 1828/4885CYP2C19 2422/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CYP1A2 1168/4885CYP2C9 1828/4885CYP2C19 2422/4885

“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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