SCHEMBL14964110

SCHEMBL14964110

COc1ccc2[nH]cc(/C(C#N)=C/c3cncc(CO)c3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.79
DYRK1A Q13627 9/20 0.70
KIF20A O95235 7/20 0.70
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR4A2 P43354 1/20 0.44
CPT1A P50416 1/20 0.44
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42

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
SCHEMBL13036965 0.89 CLK1 (1.00) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL14957143 0.89 CLK1 (1.00) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL14964099 0.87 CLK1 (0.67) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL2725554 0.86 CLK1 (0.83) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL2725559 0.86 CLK1 (0.83) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL15904581 0.86 CLK1 (0.82) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL15904580 0.86 CLK1 (0.82) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL2725011 0.82 DYRK1A (1.00) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL2725005 0.82 DYRK1A (1.00) CLK1DYRK1AKIF20AMEN1KMT2A
SCHEMBL2726634 0.81 KIF20A (0.78) CLK1DYRK1AKIF20AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212138-B2 Use of derivatives of indoles for the treatment of cancer COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-15 US disclosed
US-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-21 US disclosed
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-23 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 (2 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-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CLK1 3098/4885DYRK1A 597/4885KIF20A 871/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CLK1 3098/4885DYRK1A 597/4885KIF20A 871/4885

“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.