SCHEMBL17952186

SCHEMBL17952186

Cc1ccc(N2C(C#N)=CN(C)[C@@H]2C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ AR P10275 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL17952625 0.78 — —
SCHEMBL17952199 0.78 HSD17B10 (0.35) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL17952209 0.75 CYP1A2 (0.33) ALDH1A1MEN1KMT2ATSHRCYP2C19
SCHEMBL17952200 0.75 — —
SCHEMBL17952216 0.75 — —
SCHEMBL17952208 0.75 NPSR1 (0.34) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17952171 0.74 KMT2A (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17952218 0.74 — —
SCHEMBL17952201 0.73 — —
SCHEMBL17952219 0.72 USP30 (0.33) CA1CA2ALDH1A1KDM4EGAA

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-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 (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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CA1 4278/4885CA2 3475/4885ALDH1A1 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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