SCHEMBL21677833

SCHEMBL21677833

COc1c(C(F)(F)F)cnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.43
▸ AXL P30530 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ ULK1 O75385 4/20 0.40
▸ MAP3K20 Q9NYL2 5/20 0.39
▸ MAPK14 Q16539 5/20 0.39
▸ MAP3K7 O43318 3/20 0.39
▸ CSK P41240 3/20 0.39
▸ MAP4K2 Q12851 3/20 0.39
▸ EPHA2 P29317 2/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ JAK1 P23458 2/20 0.38

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
SCHEMBL18012903 0.79 PRKCI (0.49) AXLPRKCIULK1MAP4K2MAP4K4
SCHEMBL27869032 0.79 BRD4 (0.46) BRD4AXLPRKCIMAP4K2MAP4K4
SCHEMBL16588527 0.77 PRKCI (0.59) BRD4AXLPRKCIMAP3K20MAPK14
SCHEMBL12563103 0.77 PRKCI (0.54) BRD4AXLPRKCIRPS6KA3TTBK1
SCHEMBL24656163 0.76 PRKCI (0.42) AXLPRKCIULK1JAK1TTBK1
SCHEMBL1566092 0.76 PRKCI (0.49) BRD4AXLPRKCIRPS6KA3TTBK1
SCHEMBL21893423 0.76 ULK1 (0.47) AXLPRKCIULK1JAK1TTBK1
SCHEMBL30543159 0.76 PRKCI (0.57) AXLPRKCIULK1JAK1TTBK1
SCHEMBL21855819 0.76 PRKCI (0.41) AXLPRKCIULK1JAK1TTBK1
SCHEMBL1467223 0.76 PRKCI (0.57) AXLPRKCIULK1JAK1TTBK1

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-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 — — 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-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 BRD4 571/4885AXL 3341/4885PRKCI 434/4885

“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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