SCHEMBL18998517

SCHEMBL18998517

NCc1cc(-c2cccc(NC(=O)C3CC3)c2)ccc1N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAP4K4 O95819 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18998555 0.88 KMT2A (0.43) KMT2AALPLALPIALPGMAPT
SCHEMBL18998562 0.87 CNR1 (0.41) KMT2AALPLALPIALPGMAPT
SCHEMBL18998549 0.87 MAPK1 (0.43) KMT2AALPLALPIALPGMAPT
SCHEMBL18998550 0.87 MAPK1 (0.43) KMT2AALPLALPIALPGMAPT
SCHEMBL18998529 0.84 ALPI (0.44) KMT2AALPLALPIALPGMAPK1
SCHEMBL18998518 0.84 ALPI (0.44) KMT2AALPLALPIALPGMAPK1
SCHEMBL18998520 0.84 KMT2A (0.43) KMT2AALPLALPIALPGMAPT
SCHEMBL18998532 0.84 KMT2A (0.43) KMT2AALPLALPIALPGMAPT
SCHEMBL18998527 0.83 KMT2A (0.43) KMT2AALPLALPIALPGMEN1
SCHEMBL18998524 0.83 CFD (0.45) KMT2AALPLALPIALPGMAPK1

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 KMT2A 1865/4885ALPL 3230/4885ALPI 2409/4885

“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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