SCHEMBL2728482

SCHEMBL2728482

COc1ccc2[nH]cc(C(C#N)=C(C)c3cccnc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.67
KIF20A O95235 7/20 0.67
CLK1 P49759 6/20 0.56
NR4A2 P43354 2/20 0.46
CPT1A P50416 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2728481 1.00 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2728478 1.00 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725493 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725494 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL15907803 0.90 DYRK1A (0.67) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL3434269 0.84 DYRK1A (0.60) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL3434452 0.81 DYRK1A (0.56) DYRK1AKIF20ACLK1NR4A2CPT1A
SCHEMBL2725011 0.80 DYRK1A (1.00) DYRK1AKIF20ACLK1MEN1KMT2A
SCHEMBL2725005 0.80 DYRK1A (1.00) DYRK1AKIF20ACLK1MEN1KMT2A
SCHEMBL2726433 0.80 KIF20A (0.59) DYRK1AKIF20ACLK1MEN1KMT2A

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 11 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 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
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-8703808-B2 Use of derivatives of indoles for the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-04-22 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

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 597/4885KIF20A 871/4885CLK1 3098/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT DYRK1A 597/4885KIF20A 871/4885CLK1 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.