SCHEMBL18998518

SCHEMBL18998518

C[C@H]1CCCN1c1ccc(-c2cccc(NC(=O)C3CC3)c2)cc1CN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 2/20 0.44
▸ ALPG P10696 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL18998529 1.00 ALPI (0.44) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998524 0.87 CFD (0.45) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998577 0.87 HPGD (0.44) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998527 0.87 KMT2A (0.43) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998517 0.84 KMT2A (0.47) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998744 0.82 AR (0.49) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998751 0.82 AR (0.49) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998555 0.80 KMT2A (0.43) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998550 0.79 MAPK1 (0.43) ALPIALPGKMT2AALPLSMN1; SMN2
SCHEMBL18998549 0.79 MAPK1 (0.43) ALPIALPGKMT2AALPLSMN1; SMN2

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 ALPI 2409/4885ALPG 2413/4885KMT2A 1865/4885

“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.

Send feedback