SCHEMBL21189094

SCHEMBL21189094

Cc1cccc(-c2cccc(C#N)c2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
CLK4 Q9HAZ1 1/20 0.46
ADORA1 P30542 4/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOB P27338 2/20 0.41
CREBBP Q92793 1/20 0.41
BRD4 O60885 1/20 0.41
IDO1 P14902 2/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL4506629 0.86 ADRA2C (0.55) ADRA2CCLK4ADORA1ADORA2AADORA2B
SCHEMBL20147802 0.84 ADORA1 (0.52) CLK4ADORA1ADORA2AADORA2BAR
SCHEMBL23625616 0.82 AR (0.44) ARCYP1A2CYP2C19KDM4E
SCHEMBL3376658 0.82 ALDH1A1 (0.49) ADORA1ADORA2ACYP1A2CYP2C19KDM4E
SCHEMBL25793622 0.79 ADRA2C (0.53) ADRA2CCLK4ADORA1ADORA2AADORA2B
SCHEMBL996127 0.79 ADRA2C (0.64) ADRA2CCLK4ADORA1ADORA2ACYP1A2
SCHEMBL16905206 0.78 CLK4 (0.52) ADRA2CCLK4ADORA1ADORA2APGR
SCHEMBL20407070 0.78 PGR (0.49) ADRA2CCLK4PGRARCYP1A2
SCHEMBL4649579 0.78 CLK4 (0.41) ADRA2CCLK4ADORA1ADORA2AADORA2B
SCHEMBL14850862 0.76 CLK4 (0.46) ADRA2CCLK4PGRARCYP1A2

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 ADRA2C 1207/4885CLK4 928/4885ADORA1 2077/4885

“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.