SCHEMBL2728337

SCHEMBL2728337

COc1ccc2c(/C(C#N)=C/c3cccnc3)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 1.00
CLK1 P49759 9/20 1.00
KIF20A O95235 8/20 1.00
CLK2 P49760 2/20 0.66
CLK4 Q9HAZ1 2/20 0.66
DYRK1B Q9Y463 2/20 0.66
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL2728341 1.00 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725011 0.92 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725005 0.92 DYRK1A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904822 0.87 CLK1 (0.84) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL15904819 0.87 CLK1 (0.84) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL18301194 0.82 PIP4K2A (0.72) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL18301195 0.82 PIP4K2A (0.72) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725524 0.82 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725529 0.82 KIF20A (1.00) DYRK1ACLK1KIF20ACLK2CLK4
SCHEMBL2725764 0.82 KIF20A (1.00) 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 29 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-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
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
WO-2018077795-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS BIOKINESIS (FR) 2018-05-03 WO 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
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-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
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
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
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 DYRK1A 597/4885CLK1 3098/4885KIF20A 871/4885
US-20190275000-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF ENDOMETRIOSIS IDO1, IDO2, CYP19A1 DYRK1A 802/4885CLK1 3902/4885KIF20A 2234/4885
US-10624876-B2 Derivatives of indole for the treatment of endometriosis IDO1, IDO2, CYP19A1 DYRK1A 1084/4885CLK1 3666/4885KIF20A 2497/4885
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.