SCHEMBL18998555

SCHEMBL18998555

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MGLL Q99685 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
SCHEMBL18998550 0.91 MAPK1 (0.43) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998549 0.91 MAPK1 (0.43) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998517 0.88 KMT2A (0.47) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998520 0.87 KMT2A (0.43) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998532 0.87 KMT2A (0.43) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998776 0.82 TP53 (0.49) KMT2AMEN1MAPTMAPK1USP2
SCHEMBL18998570 0.82 KMT2A (0.37) KMT2AMEN1MAPTUSP2ALPL
SCHEMBL18998562 0.80 CNR1 (0.41) KMT2AMEN1MAPTALPLALPI
SCHEMBL18998529 0.80 ALPI (0.44) KMT2AMAPK1USP2ALPLALPI
SCHEMBL18998518 0.80 ALPI (0.44) KMT2AMAPK1USP2ALPLALPI

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 1865/4885MEN1 3091/4885MAPT 2232/4885

“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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