SCHEMBL18998549

SCHEMBL18998549

NCc1cc(-c2cccc(NC(=O)C3CC3)c2)ccc1N1CC[C@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL18998550 1.00 MAPK1 (0.43) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998555 0.91 KMT2A (0.43) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998517 0.87 KMT2A (0.47) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998532 0.86 KMT2A (0.43) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998520 0.86 KMT2A (0.43) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998570 0.83 KMT2A (0.37) KMT2AUSP2ALPLALPIALPG
SCHEMBL18998775 0.82 TP53 (0.48) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998770 0.82 TP53 (0.48) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998529 0.79 ALPI (0.44) MAPK1KMT2AUSP2ALPLALPI
SCHEMBL18998518 0.79 ALPI (0.44) MAPK1KMT2AUSP2ALPLALPI

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 MAPK1 1133/4885KMT2A 1865/4885USP2 972/4885

“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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