SCHEMBL21189130

SCHEMBL21189130

N#Cc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.57
XDH P47989 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
PTPN5 P54829 1/20 0.54
NOTUM Q6P988 1/20 0.53
MMP3 P08254 1/20 0.52
CYP11B2 P19099 1/20 0.52
PGR P06401 3/20 0.51
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
TSHR P16473 1/20 0.50
MAP4K4 O95819 1/20 0.50
GABRA1 P14867 1/20 0.50
CHEK1 O14757 1/20 0.49
IDO1 P14902 2/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL27787243 0.93 CLK4 (0.63) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL22507033 0.91 MMP3 (0.56) CLK4XDHSLC22A12PTPN5MMP3
Hydrochloric Acid SCHEMBL28007259 0.91 CLK4 (0.61) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL2154026 0.91 CLK4 (0.65) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL25544163 0.89 CLK4 (0.47) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL25543234 0.89 CLK4 (0.47) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL29425207 0.88 GABRG2 (0.61) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL270874 0.88 GABRG2 (0.61) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL19608707 0.88 CLK4 (0.50) CLK4XDHSLC22A12PTPN5NOTUM
SCHEMBL29511815 0.87 XDH (0.56) CLK4XDHSLC22A12PTPN5PGR

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 CLK4 928/4885XDH 3911/4885SLC22A12 2887/4885

“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.