SCHEMBL13035549

SCHEMBL13035549

N#C/C(=C\c1cccnc1)c1c[nH]c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 1.00
CLK1 P49759 7/20 1.00
KIF20A O95235 7/20 1.00
CLK2 P49760 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
DYRK1B Q9Y463 2/20 1.00
CDK5 Q00535 1/20 1.00
CDK5R1 Q15078 1/20 1.00
CHEK1 O14757 1/20 0.65
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
NEK2 P51955 2/20 0.51
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL14956952 1.00 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725524 0.85 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725764 0.85 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725529 0.85 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL29382113 0.85 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904582 0.83 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904579 0.83 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL13037111 0.82 DYRK1A (0.69) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904529 0.81 DYRK1A (0.72) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904530 0.81 DYRK1A (0.72) DYRK1ACLK1KIF20ACLK2CLK4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP claimed
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 claimed
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 claimed
US-8703808-B2 Use of derivatives of indoles for the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-04-22 US claimed
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-23 US claimed
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP disclosed
EP-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP disclosed
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-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-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-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
WO-2014115071-A1 KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-31 WO disclosed
US-8703808-B2 Use of derivatives of indoles for the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-04-22 US disclosed
CN-102481285-B Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2013-11-13 CN 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
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
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
CN-102481285-A Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2012-05-30 CN disclosed
WO-2010150211-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-29 WO 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 DYRK1A 597/4885CLK1 3098/4885KIF20A 871/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT DYRK1A 597/4885CLK1 3098/4885KIF20A 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.