SCHEMBL17952209

SCHEMBL17952209

Cc1cccc(C)c1N1C(C#N)=CN(C)[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17952359 0.86 ALDH1A1 (0.33) TSHRMEN1ALDH1A1POLBKMT2A
SCHEMBL17952200 0.84 — —
SCHEMBL17952171 0.83 KMT2A (0.37) CYP1A2CYP2C19TSHRMEN1ALDH1A1
SCHEMBL17952217 0.81 — —
SCHEMBL17952216 0.81 — —
SCHEMBL17952358 0.76 MEN1 (0.31) CYP2C19MEN1KMT2A
SCHEMBL17952186 0.75 CA1 (0.34) CYP2C19TSHRMEN1ALDH1A1KMT2A
SCHEMBL17952625 0.74 — —
SCHEMBL21361162 0.74 TSHR (0.36) CYP1A2CYP2C19TSHRMEN1ALDH1A1
SCHEMBL17952208 0.74 NPSR1 (0.34) CYP2C19MEN1ALDH1A1KMT2A

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 1168/4885CYP2C19 2422/4885TSHR 4400/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CYP1A2 1168/4885CYP2C19 2422/4885TSHR 4400/4885

“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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