SCHEMBL769609

SCHEMBL769609

N#Cc1cccc(-c2c3ccccc3cc3ccccc23)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CES1 P23141 1/20 0.42
MCL1 Q07820 1/20 0.41
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIM1 P11309 3/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6281734 0.85 CA1 (0.43) CA1CA2CES1MCL1CLK1
SCHEMBL769553 0.81 CA1 (0.55) CA1CA2MCL1PIM1KDM4E
SCHEMBL30135211 0.80 CA1 (0.46) CA1CA2MCL1PIM1KDM4E
SCHEMBL29489130 0.79 MCL1 (0.47) CA1CA2CES1MCL1CLK1
SCHEMBL23081307 0.76 MCL1 (0.36) CA1CA2MCL1CLK1DYRK1A
SCHEMBL819411 0.76 CA1 (0.49) CA1CA2CES1MCL1CLK1
SCHEMBL29110487 0.75 CA1 (0.38) CA1CA2CES1MCL1CLK1
SCHEMBL11132592 0.75 ESR2 (0.43) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL29110490 0.75 MCL1 (0.49) CA1CA2MCL1PIM1KDM4E
SCHEMBL11876478 0.74 ESR2 (0.48) CA1CA2KDM4EALDH1A1TSHR

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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B CA1 2736/4885CA2 1572/4885CES1 4314/4885

“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.