SCHEMBL21927329

SCHEMBL21927329

CC1(C)c2ccccc2N(c2cccc(-c3ccc(-c4ccnc(C#N)c4)cc3)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MGLL Q99685 1/20 0.35
AR P10275 1/20 0.33
BUB1 O43683 1/20 0.33
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
USP30 Q70CQ3 4/20 0.32
XDH P47989 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
NPY5R Q15761 1/20 0.31
PGR P06401 1/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL21927551 0.98 MYC (0.37) MYCFAAHALDH1A1HSP90AA1PKM
SCHEMBL21927751 0.97 MYC (0.36) MYCFAAHALDH1A1HSP90AA1PKM
SCHEMBL21927578 0.92 AR (0.36) MYCARBUB1XDHABCG2
SCHEMBL21927299 0.86 CHEK1 (0.38) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL21927691 0.86 MYC (0.46) MYCFAAHALDH1A1HSP90AA1PKM
SCHEMBL21927552 0.85 CHEK1 (0.37) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL21927658 0.85 MYC (0.41) MYCALDH1A1HTTMGLLAR
SCHEMBL21927992 0.84 GABRA1 (0.36) MYCALDH1A1HTTARBUB1
SCHEMBL21927901 0.84 MYC (0.42) MYCFAAHALDH1A1HSP90AA1PKM
SCHEMBL21927388 0.83 ALDH1A1 (0.42) MYCFAAHALDH1A1HSP90AA1PKM

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 MYC 1598/4885FAAH 2675/4885ALDH1A1 511/4885

“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.