SCHEMBL10315552

SCHEMBL10315552

Cc1ccc(NC(=O)Nc2cccc(CN3CCCCC3)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.57
WNT1 P04628 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL10315571 0.89 HTR1A (0.57) NPSR1HTR1AHTR1DHTR1B
SCHEMBL3198046 0.88 ACKR3 (0.52) ACKR3HTR1AHTR1DHTR1B
SCHEMBL402086 0.86 ACKR3 (0.51) ACKR3NPSR1HTR1AHTR1DHTR1B
SCHEMBL398679 0.86 ACKR3 (0.51) ACKR3NPSR1HTR1AHTR1DHTR1B
SCHEMBL402839 0.85 WNT1 (0.48) ACKR3WNT1CLK2CLK3DYRK1A
SCHEMBL8242499 0.84 ACKR3 (0.51) ACKR3NPSR1HTR1AHTR1DHTR1B
SCHEMBL401714 0.84 ACKR3 (0.49) ACKR3NPSR1HTR1AHTR1DHTR1B
SCHEMBL14417396 0.80 ACKR3 (0.46) ACKR3HTR1AHTR1DHTR1B
SCHEMBL3204594 0.80 ACKR3 (0.47) ACKR3NPSR1HTR1AHTR1DHTR1B
SCHEMBL3200902 0.80 ACKR3 (0.47) ACKR3NPSR1HTR1AHTR1DHTR1B

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-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2017-09-21 US disclosed
US-9643925-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2017-05-09 US disclosed
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2016-04-28 US disclosed
US-9150564-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2015-10-06 US disclosed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-8871769-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE CYTOKINETICS, INCORPORATED (US) 2014-02-06 US disclosed
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 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 (6 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 ACKR3 4761/4885WNT1 3796/4885CLK2 2892/4885
US-20170267638-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885WNT1 3877/4885CLK2 3004/4885
US-20140038983-A1 UREAS AND THEIR USE IN THE TREATMENT OF HEART FAILURE TNNI3, TNNT2, MYLK2 ACKR3 4761/4885WNT1 3796/4885CLK2 2892/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885WNT1 3877/4885CLK2 3004/4885
US-20160115133-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 ACKR3 4807/4885WNT1 3877/4885CLK2 3004/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ACKR3 4807/4885WNT1 3877/4885CLK2 3004/4885

“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.