SCHEMBL21189090

SCHEMBL21189090

Cc1cccc(C#N)c1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CLK4 Q9HAZ1 1/20 0.46
ADRA2C P18825 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CNR2 P34972 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
IDO1 P14902 2/20 0.41
NOTUM Q6P988 1/20 0.41
MAOB P27338 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GRM5 P41594 1/20 0.40
USP7 Q93009 1/20 0.40
F11 P03951 1/20 0.40
PIN1 Q13526 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL16905206 0.89 CLK4 (0.52) CLK4ADRA2CCNR2ADORA2AADORA1
SCHEMBL4450143 0.82 TSHR (0.59) TSHRADORA2A
SCHEMBL21022697 0.79 TSHR (0.65) TSHRNOTUMAR
SCHEMBL21884451 0.77 CLK4 (0.39) CLK4LRRK2CNR2IDO1NOTUM
SCHEMBL7626603 0.77 CLK4 (0.47) TSHRCLK4GABRG2GABRB3GABRA5
SCHEMBL21022696 0.77 TSHR (0.62) TSHRNOTUMAR
SCHEMBL17461870 0.76 XDH (0.57) CNR2NOTUMF11PIN1
SCHEMBL4506629 0.75 ADRA2C (0.55) CLK4ADRA2CADORA2AADORA1MAOB
SCHEMBL2154026 0.74 CLK4 (0.65) TSHRCLK4ADRA2CIDO1NOTUM
SCHEMBL18406714 0.74 AR (0.54) TSHRLRRK2CNR2ADORA2AADORA1

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 TSHR 3246/4885CLK4 928/4885ADRA2C 1207/4885

“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.