SCHEMBL21928096

SCHEMBL21928096

Cc1nc(C#N)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.40
NQO1 P15559 1/20 0.39
TSHR P16473 1/20 0.38
SOS2 Q07890 1/20 0.37
AR P10275 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL701812 0.79 NOS3 (0.44) EGLN2NQO1TSHRSOS2ALDH1A1
SCHEMBL1641172 0.79 HRH4 (0.45) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL1994750 0.79 SOS2 (0.38) NQO1TSHRSOS2ALDH1A1KDM4E
SCHEMBL31253097 0.79 HRH4 (0.45) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL24141635 0.76 EGLN2 (0.39) EGLN2NQO1SOS2ALDH1A1MEN1
SCHEMBL588462 0.76 EGLN2 (0.50) EGLN2NQO1SOS2CYP1A2CYP2C19
SCHEMBL286959 0.76 NPSR1 (0.42) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL21657144 0.76 TSHR (0.37) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL559359 0.76 NOS3 (0.52) TSHRARALDH1A1KDM4ECYP1A2
SCHEMBL1973272 0.76 SOS2 (0.48) EGLN2NQO1SOS2ARALDH1A1

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 EGLN2 3494/4885NQO1 711/4885TSHR 3582/4885

“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.