SCHEMBL17952343

SCHEMBL17952343

Cc1ccc(N2c3c(C#N)ccc(C#N)c3N(C)[C@@H]2C)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HRH4 Q9H3N8 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
SCHEMBL17952341 0.89 AR (0.33) ARKDM4EHRH4
SCHEMBL17952096 0.87 TSHR (0.35) ARKDM4EALDH1A1POLBMAPT
SCHEMBL17952333 0.85 NSD2 (0.32) ARKDM4ENPC1ALDH1A1POLB
SCHEMBL17952241 0.85 AR (0.34) ARKDM4ENPC1ALDH1A1POLB
SCHEMBL17952099 0.82 AR (0.32) ARKDM4EALDH1A1POLBTDP1
SCHEMBL17952605 0.82 ALDH1A1 (0.33) ARKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL17952390 0.82 NPSR1 (0.36) ARKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL17952388 0.81 TSHR (0.41) ARKDM4EALDH1A1POLBMAPT
SCHEMBL17952093 0.81 AR (0.31) ARKDM4E
SCHEMBL17947666 0.81 AR (0.32) ARHRH4

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 AR 1525/4885KDM4E 4426/4885NPC1 846/4885

“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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