SCHEMBL16154665

SCHEMBL16154665

COc1cc(-c2ccc(-c3ccc4c(c3)C(=O)NC4)c(C(C)C)n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
FYN P06241 1/20 0.41
ACVR2A P27037 1/20 0.40
TGFBR2 P37173 1/20 0.40
BRAF P15056 1/20 0.40
NTRK2 Q16620 2/20 0.39
TYRO3 Q06418 1/20 0.39
MTOR P42345 1/20 0.39
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
MET P08581 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL16154661 0.88 CLK4 (0.49) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL16135663 0.87 CLK4 (0.46) MAPK1CLK4DYRK1BFYNACVR2A
SCHEMBL16133546 0.85 ACVR2A (0.41) ACVR2ATGFBR2METPDE3BPDE3A
SCHEMBL16154668 0.82 CLK4 (0.43) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL16133553 0.81 MAPK1 (0.42) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL16135652 0.73 CLK4 (0.55) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL16154663 0.71 CLK4 (0.54) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL16154664 0.69 CLK4 (0.40) MAPK1CLK4DYRK1BFYNBRAF
SCHEMBL29420571 0.68 MAPK1 (0.56) MAPK1CLK4DYRK1BFYNNTRK2
SCHEMBL28709655 0.68 MAPK1 (0.56) MAPK1CLK4DYRK1BFYNNTRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 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 (2 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MAPK1 2037/4885CLK4 4768/4885DYRK1B 4883/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD MAPK1 2172/4885CLK4 4766/4885DYRK1B 4883/4885

“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.