SCHEMBL18998748

SCHEMBL18998748

N#Cc1cc(-c2cccc(NC(=O)C3CC3)c2)ccc1N1CCC[C@@H]1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.56
▸ CFD P00746 2/20 0.47
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL18998794 0.91 HPGD (0.46) ARCFDHPGDALDH1A1HSD17B10
SCHEMBL18998744 0.86 AR (0.49) ARCFDHPGDALDH1A1HSD17B10
SCHEMBL18998751 0.86 AR (0.49) ARCFDHPGDALDH1A1HSD17B10
SCHEMBL18983875 0.85 AR (0.53) AR
SCHEMBL18983877 0.85 AR (0.53) AR
SCHEMBL18998750 0.85 KMT2A (0.43) ARCFDHPGDALDH1A1HSD17B10
SCHEMBL18998743 0.84 HPGD (0.53) HPGDALDH1A1HSD17B10KMT2AMAPT
SCHEMBL18998524 0.83 CFD (0.45) ARCFDHPGDALDH1A1HSD17B10
SCHEMBL18998776 0.79 TP53 (0.49) HPGDALDH1A1HSD17B10KMT2AMAPT
SCHEMBL18998775 0.78 TP53 (0.48) HPGDALDH1A1HSD17B10KMT2AMAPT

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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AR 2671/4885CFD 4825/4885HPGD 4072/4885

“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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