SCHEMBL17952337

SCHEMBL17952337

Cc1ccc(-c2ccccc2)cc1N1c2c(C#N)cc(C#N)cc2N(C)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA4 P48058 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 1/20 0.30
▸ BRD3 Q15059 1/20 0.30

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
SCHEMBL17952263 0.91 KDM4E (0.34) GAAKDM4EALDH1A1GLACYP11B1
SCHEMBL17952339 0.91 KDM4E (0.34) GAAKDM4EALDH1A1GLACYP11B1
SCHEMBL17952185 0.86 SMN1; SMN2 (0.36) GAAKDM4EALDH1A1GLACYP11B1
SCHEMBL17952277 0.86 ALDH1A1 (0.36) GAAKDM4EALDH1A1GLACYP11B1
SCHEMBL17952113 0.86 TSHR (0.36) GAAKDM4EALDH1A1GLACYP1A2
SCHEMBL17952270 0.85 ALDH1A1 (0.33) GAAKDM4EALDH1A1GLACYP1A2
SCHEMBL17952392 0.85 ALDH1A1 (0.31) GAAKDM4EALDH1A1GLACYP1A2
SCHEMBL17952319 0.85 ALDH1A1 (0.37) GAAKDM4EALDH1A1GLACYP11B1
SCHEMBL17952284 0.84 ALDH1A1 (0.35) GAAKDM4EALDH1A1GLAGRIA2
SCHEMBL17952267 0.84 ALDH1A1 (0.36) GAAKDM4EALDH1A1GLACYP11B1

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 GAA 2911/4885KDM4E 4426/4885ALDH1A1 1620/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 GAA 2911/4885KDM4E 4426/4885ALDH1A1 1620/4885

“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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