SCHEMBL21189129

SCHEMBL21189129

N#Cc1ccc(-c2cc(I)ccc2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
KDM1A O60341 1/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
STS P08842 2/20 0.38
ESR2 Q92731 1/20 0.38
CYP11B2 P19099 4/20 0.37
KIF11 P52732 2/20 0.36
PTGS1 P23219 1/20 0.36
MAP4K4 O95819 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL29663328 0.80 PGR (0.50) CYP11B2CYP11B1ALDH1A1
SCHEMBL7108077 0.76 CYP11B2 (0.42) MMP3KDM1ACYP11B2KIF11CYP11B1
SCHEMBL17630026 0.76 KDM1A (0.41) MMP3KDM1AGCGRMAPK14CYP11B2
SCHEMBL13744792 0.75 MMP3 (0.58) MMP3CYP11B2KIF11ALDH1A1CYP2A6
SCHEMBL7467123 0.75 MMP3 (0.58) MMP3CYP11B2KIF11ALDH1A1CYP2A6
SCHEMBL18406715 0.74 ALDH1A1 (0.54) KDM1ASTSCYP11B2GSK3BCYP11B1
SCHEMBL17630025 0.74 MMP3 (0.40) MMP3KDM1ACYP11B2
SCHEMBL21036112 0.73 MMP3 (0.47) MMP3CYP11B2KIF11MAP4K4CYP11B1
SCHEMBL18411453 0.73 PTGDR2 (0.50) ESR2CYP19A1ALDH1A1
SCHEMBL17629903 0.73 KIF11 (0.51) KDM1ACYP11B2KIF11

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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 MMP3 4568/4885KDM1A 2442/4885GCGR 1045/4885

“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.