SCHEMBL21928126

SCHEMBL21928126

Cc1ccc(C#N)nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
SOS2 Q07890 1/20 0.37
CHEK1 O14757 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PRKCQ Q04759 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL27038906 0.81 GAA (0.31) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL31395317 0.81 GAA (0.31) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL16847886 0.80 CHEK1 (0.34) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL9426003 0.79 USP30 (0.39) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL701812 0.79 NOS3 (0.44) NQO1SOS2ALDH1A1EGLN2TSHR
SCHEMBL929272 0.79 KMT2A (0.42) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL24417209 0.76 USP8 (0.36) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL17399657 0.76 NOS3 (0.52) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL22129397 0.76 CHEK1 (0.34) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL16834623 0.76 SOS2 (0.44) NQO1SOS2ALDH1A1EGLN2TSHR

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 NQO1 711/4885SOS2 1331/4885CHEK1 333/4885

“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.