SCHEMBL20173126

SCHEMBL20173126

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc42)c2cc(N(c4ccccc4)c4ccc(C(F)(F)F)cc4)ccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.39
DHFR P00374 3/20 0.34
TYMS P04818 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL20173676 0.94 PDK2 (0.40) PDK2KDM1A
SCHEMBL20173134 0.94 PDK2 (0.35) PDK2DHFR
SCHEMBL20173136 0.92 PDK2 (0.34) PDK2DHFR
SCHEMBL20173123 0.91 PDK2 (0.37) PDK2
SCHEMBL18659323 0.91 PDK2 (0.39) PDK2
SCHEMBL20173672 0.89 PDK2 (0.38) PDK2
SCHEMBL17929496 0.89 PDK2 (0.35) PDK2
SCHEMBL18659301 0.89 PDK2 (0.44) PDK2
SCHEMBL18659304 0.88 TSHR (0.34) PDK2
SCHEMBL18659288 0.87 PDK2 (0.36) PDK2

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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 PDK2 2535/4885DHFR 1549/4885TYMS 2236/4885

“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.