SCHEMBL2725529

SCHEMBL2725529

N#CC(=Cc1cccnc1)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 12/20 1.00
DYRK1A Q13627 9/20 1.00
CLK1 P49759 7/20 0.73
CLK2 P49760 2/20 0.73
CLK4 Q9HAZ1 2/20 0.73
DYRK1B Q9Y463 2/20 0.73
CDK5 Q00535 1/20 0.73
CDK5R1 Q15078 1/20 0.73
PIP4K2A P48426 1/20 0.65
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL2725524 1.00 KIF20A (1.00) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL29382113 1.00 KIF20A (1.00) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL2725764 1.00 KIF20A (1.00) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL2726001 0.87 KIF20A (0.77) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL2726006 0.87 KIF20A (0.77) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL2711280 0.85 DYRK1A (0.78) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL30937474 0.85 DYRK1A (0.78) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL2711278 0.85 DYRK1A (0.78) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL274836 0.85 KIF20A (0.79) KIF20ADYRK1ACLK1CLK2CLK4
SCHEMBL274837 0.85 KIF20A (0.79) KIF20ADYRK1ACLK1CLK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624876-B2 Derivatives of indole for the treatment of endometriosis BIOKINESIS (FR) 2020-04-21 US claimed
US-20190275000-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS DIACCURATE (FR) 2019-09-12 US claimed
EP-3529243-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS Biokinesis (FR) 2019-08-28 EP claimed
CN-109863144-A Novel indole derivatives for the treatment of endometriosis 生物控制术公司 2019-06-07 CN claimed
WO-2018077795-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS BIOKINESIS (FR) 2018-05-03 WO 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 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
CN-102481285-B Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2013-11-13 CN 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
CN-102481285-A Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2012-05-30 CN claimed
EP-2266562-A1 Use of derivatives of indoles for the treatment of cancer Centre National de la Recherche Scientifique (FR) 2010-12-29 EP claimed
US-10624876-B2 Derivatives of indole for the treatment of endometriosis BIOKINESIS (FR) 2020-04-21 US disclosed
US-20190275000-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS DIACCURATE (FR) 2019-09-12 US disclosed
EP-3529243-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS Biokinesis (FR) 2019-08-28 EP disclosed
CN-102481285-A Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2012-05-30 CN disclosed
EP-2445497-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2012-05-02 EP 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
EP-2266562-A1 Use of derivatives of indoles for the treatment of cancer Centre National de la Recherche Scientifique (FR) 2010-12-29 EP 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 (4 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 KIF20A 871/4885DYRK1A 597/4885CLK1 3098/4885
US-20190275000-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS IDO1, IDO2, CYP19A1 KIF20A 2234/4885DYRK1A 802/4885CLK1 3902/4885
US-10624876-B2 Derivatives of indole for the treatment of endometriosis IDO1, IDO2, CYP19A1 KIF20A 2497/4885DYRK1A 1084/4885CLK1 3666/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KIF20A 871/4885DYRK1A 597/4885CLK1 3098/4885

“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.